2-Amino-5-(2-carboxythiophene-4-YL)nicotinic acid
Basic information
- CAS
1261951-46-5- Standard SMILES
Nc1ncc(-c2csc(C(=O)O)c2)cc1C(=O)O- InChIKey
RBXLTWCGHDPRSF-UHFFFAOYSA-N- Molecular formula
- C11H8N2O4S
- Average molar mass
- 264.26 g/mol
- Monoisotopic mass
- 264.02047791
Names & identifiers
- Preferred name
- 2-Amino-5-(2-carboxythiophene-4-YL)nicotinic acid
- IUPAC
- 2-amino-5-(5-carboxythiophen-3-yl)pyridine-3-carboxylic acid
Names & synonyms
1261951-46-52-AMINO-5-(2-CARBOXYTHIOPHENE-4-YL)NICOTINIC ACID2-amino-5-(5-carboxythiophen-3-yl)pyridine-3-carboxylic acidMFCD18317677DTXSID306876812-Amino-5-(2-carboxythiophene-4-yl)nicotinic acid, 95%2-amino-5-(5-carboxy-3-thienyl)pyridine-3-carboxylic acid
Database identifiers
- CAS
1261951-46-5- PubChem CID
- 53223545
- DTXSID
DTXSID30687681
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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