乙烷基2,4-二羟基-6-甲基烟酸碱 | 70254-52-3
乙烷基2,4-二羟基-6-甲基烟酸碱
Ethyl 2,4-dihydroxy-6-methylnicotinate
70254-52-3
C9H11NO4
197.1879
名称和标识符
MDL |
MFCD02929397 |
InChIKey |
CMCZAWPDHHYFPU-UHFFFAOYSA-N |
Inchi |
1S/C9H11NO4/c1-3-14-9(13)7-6(11)4-5(2)10-8(7)12/h4H,3H2,1-2H3,(H2,10,11,12) |
SMILES |
O(C([H])([H])C([H])([H])[H])C(C1C(N([H])C(C([H])([H])[H])=C([H])C=1O[H])=O)=O |
别名信息
- 中文别名 -
- 乙烷基2,4-二羟基-6-甲基烟酸碱
- 2,4-二羟基-6-甲基烟酸乙酯
- 2,4-二羟基-6-甲基烟酸乙脂
- 2.4-二羟基-6-甲基-烟酸乙酯
- Ethyl 2,4-Dihydroxy-6-methylnicotinate 2,4-二羟基-6-甲基烟酸乙脂
- 英文别名 -
- Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate
- Ethyl 2,4-dihydroxy-6-methylnicotinate
- 2,4-Dihydroxy-6-methyl-3-pyridinecarboxylic acid ethyl ester
- 3-PYRIDINECARBOXYLIC ACID,2,4-DIHYDROXY-6-METHYL-,ETHYL ESTER
- Ethyl 2,4-dihydroxy-6-methyl-3-pyridine-carboxylate
- ETHYL ESTER, 2,4-DIHYDROXY-6-METHYL-3-PYRIDINE CARBOXYLIC ACID
- 2,4-Dihydroxy-6-methylnicotinic Acid Ethyl Ester
- ethyl 4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate
- ethyl 2,4-dihydroxy-6-methylpyridine-3-carboxylate
- MLS000737690
- CMCZAWPDHHYFPU-UHFFFAOYSA-N
- Ethyl2,4-dihydroxy-6-methyl-3-pyridinecarboxylate
- 4-Hydroxy-6-methyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid ethyl ester
- 2,4-dihydroxy-6-methyl-nicoti
- 2,4-Dihydroxy-6-methyl-3-pyridinecarboxylic Acid Ethyl Ester
- Ethyl 2,4-Dihydroxy-6-methyl-3-pyridinecarboxylate
- 70254-52-3
- 70254-52-3
- SY020959
- SY020959
- FT-0641278
- FT-0641278
- 10350-10-4
- 10350-10-4
- DTXSID70908448
- DTXSID70908448
- Nicotinic acid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester
- Nicotinic acid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester
- 11L-585S
- 11L-585S
- AM20070295
- AM20070295
- O11749
- O11749
- EN300-98599
- EN300-98599
- CHEMBL1529758
- CHEMBL1529758
- 2,4-Dihydroxy-6-methyl-3-pyridine carboxylic acid ethyl ester
- 2,4-Dihydroxy-6-methyl-3-pyridine carboxylic acid ethyl ester
- Maybridge3_000642
- Maybridge3_000642
- W-204499
- W-204499
- ethyl 2-hydroxy-6-methyl-4-oxo-1H-pyridine-3-carboxylate
- ethyl 2-hydroxy-6-methyl-4-oxo-1H-pyridine-3-carboxylate
- ETHYL 2,4-DIHYDROXY-6-METHYL-3-PYRIDINE-CARBOXYLATE
- ETHYL 2,4-DIHYDROXY-6-METHYL-3-PYRIDINE-CARBOXYLATE
- MLS000736242
- MLS000736242
- IDI1_012029
- IDI1_012029
- CS-W010569
- CS-W010569
- AB12740
- AB12740
- Ethyl 2,4-dihydroxy-6-methyl-3-pyridineaarboxylic acid
- Ethyl 2,4-dihydroxy-6-methyl-3-pyridineaarboxylic acid
- ethyl 2,4-dihydroxy-6-methylnicotinate
- Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate
- ethyl 2,4-dihydroxy-6-methylnicotinate
- Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate
- Ethyl 2,4-dihydroxy-6-methylnicotinate #
- Ethyl 2,4-dihydroxy-6-methylnicotinate #
- Ethyl 2,4-dihydroxy-6-methylnicotinate, AldrichCPR
- Ethyl 2,4-dihydroxy-6-methylnicotinate, AldrichCPR
- ethyl-4-hydroxy-6-methyl-2-pyridone-3-carboxylate
- ethyl-4-hydroxy-6-methyl-2-pyridone-3-carboxylate
- SMR000338492
- AC-9470
- SMR000338492
- ETHYL ESTER 2,4-DIHYDROXY-6-METHYL-3-PYRIDINE CARBOXYLIC ACID
- AC-9470
- ETHYL ESTER 2,4-DIHYDROXY-6-METHYL-3-PYRIDINE CARBOXYLIC ACID
- Oprea1_491016
- Oprea1_491016
- E0869
- Ethyl 4-hydroxy-6-methyl-2-oxo-1 pound not2-dihydropyridine-3-carboxylate
- E0869
- A9273
- Ethyl 4-hydroxy-6-methyl-2-oxo-1 pound not2-dihydropyridine-3-carboxylate
- A9273
- NSC109231
- NSC109231
- HMS1432N04
- HMS1432N04
- AKOS015856443
- AKOS015856443
- 3-Pyridinecarboxylic acid,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester
- 3-Pyridinecarboxylic acid,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester
- Ethyl ester, 2,4-dihydroxy-6-methyl-3-pyridinecarboxylica cid
- Ethyl ester, 2,4-dihydroxy-6-methyl-3-pyridinecarboxylica cid
- BCP33973
- BCP33973
- HMS2774N13
- HMS2774N13
- 2,4-dihydroxy-6-methyl-nicotinic acid ethyl ester
- 2,4-dihydroxy-6-methyl-nicotinic acid ethyl ester
- 3-Pyridinecarboxylic acid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester
- 3-Pyridinecarboxylic acid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester
- J-520670
- J-520670
- 3-Pyridinecarboxylicacid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester
- 3-Pyridinecarboxylicacid, 1,2-dihydro-4-hydroxy-6-methyl-2-oxo-, ethyl ester
- SCHEMBL1062838
- SCHEMBL1062838
- ethyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
- ethyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
- NSC-109231
- NSC-109231
- PS-8254
- PS-8254
- H10817
- H10817
- Ethyl 4-Hydroxy-6-methyl-2-pyridone-3-carboxylate
- Ethyl 4-Hydroxy-6-methyl-2-pyridone-3-carboxylate
- FT-0694987
- FT-0694987
- AKOS005078132
- AKOS005078132
- ethyl 4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylate
- ethyl 4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylate
- MFCD02929397
- MFCD02929397
物化性质
实验特性
LogP |
0.97790 |
PSA |
79.65000 |
折射率 |
1.619 |
沸点 |
363.155ºC at 760 mmHg |
熔点 |
210°C(lit.) |
闪点 |
173.43ºC |
颜色与性状 |
白色晶状体粉末。 |
溶解性 |
不能溶于水。 |
密度 |
1.555g/cm3 |
计算特性
精确分子量 |
197.06900 |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
3 |
同位素质量 |
197.069 |
重原子数量 |
14 |
复杂度 |
341 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
0.9 |
互变异构体数量 |
25 |
表面电荷 |
0 |
拓扑分子极性表面积 |
75.6 |
参考资料
Reaxys RN |
383937 |
Beilstein |
MFCD02929397 |