Basic information
- CAS
115835-54-6- Standard SMILES
CCOC(=O)c1nc(-c2cccnc2)[nH]c1C- InChIKey
SJIFSJWQMPXNKF-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 5-Methyl-2-pyridin-3-YL-3H-imidazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carboxylate
- English name
- 5-Methyl-2-pyridin-3-yl-3H-imidazole-4-carboxylic acid ethyl ester
- Molecular formula
- C12H13N3O2
- Molecular weight
- 231.25
Names & synonyms
115835-54-6Ethyl 4-methyl-2-(pyridin-3-yl)-1H-imidazole-5-carboxylate5-METHYL-2-(PYRIDIN-3-YL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER5-METHYL-2-PYRIDIN-3-YL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTERethyl 5-methyl-2-pyridin-3-yl-1H-imidazole-4-carboxylateEthyl 5-Methyl-2-(3-pyridyl)-1H-imidazole-4-carboxylate1H-Imidazole-5-carboxylic acid, 4-methyl-2-(3-pyridinyl)-, ethyl esterSJIFSJWQMPXNKF-UHFFFAOYSA-NDTXSID50700801Ethyl 5-methyl-2-(pyridin-3-yl)-1H-imidazole-4-carboxylateMFCD08276067SY341192
Show more names
ethyl 5-methyl-2-pyridin-3-yl-1~{H}-imidazole-4-carboxylate
5-methyl-2-(3-pyridinyl)-1H-imidazole-4-carboxylic acid, ethyl ester
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 445.1 · 445.1±35.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 9.78 · 9.78±0.10(Predicted)
Chemistry & industry
Suppliers4 total
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
Related reactions
2 records
Compound notes
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