Basic information
- CAS
1261968-38-0- Standard SMILES
Nc1cc(C(=O)O)c(-c2cccc(Cl)c2)cn1- InChIKey
GVTYAMWFSSVWDL-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O2
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0352552
Names & identifiers
- Preferred name
- 2-Amino-5-(3-chlorophenyl)pyridine-4-carboxylic acid
- IUPAC
- 2-amino-5-(3-chlorophenyl)pyridine-4-carboxylic acid
Names & synonyms
1261968-38-02-amino-5-(3-chlorophenyl)pyridine-4-carboxylic acidMFCD18317173DTXSID006872992-AMINO-5-(3-CHLOROPHENYL)ISONICOTINIC ACID2-Amino-5-(3-chlorophenyl)isonicotinic acid, 95%
Database identifiers
- CAS
1261968-38-0- PubChem CID
- 53223003
- DTXSID
DTXSID00687299
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…