Basic information
- CAS
24202-75-3- Standard SMILES
NC(=O)c1ccncc1C(=O)[O-]- InChIKey
PUXXPJODVNKSAT-UHFFFAOYSA-M- Molecular formula
- C7H5N2O3-
- Average molar mass
- 165.13 g/mol
- Monoisotopic mass
- 165.03001703
Names & identifiers
- Preferred name
- 4-Carbamoylpyridine-3-carboxylate
- IUPAC
- 4-carbamoylpyridine-3-carboxylate
- English name
- 4-carbamoylpyridine-3-carboxylate
- Molecular formula
- C7H6N2O3
- Molecular weight
- 166.13
Names & synonyms
4-carbamoylpyridine-3-carboxylateDTXSID504262713-Pyridinecarboxylic acid, 4-(aminocarbonyl)- (9CI) Other Names: Nicotinic acid, 4-carbamoyl- (8CI)4-Carbamoylnicotinic acid4-cinchomeronic acid-amide3-Pyridinecarboxylic acid, 4-(aminocarbonyl)-
Database identifiers
- CAS
24202-75-3- PubChem CID
- 6973598
- DTXSID
DTXSID50426271
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 199
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Boiling point
- 440.6 · 440.6±30.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.10(Predicted)
Chemistry & industry
Suppliers4 total
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…