5-Amino-2-[(4-pyridinylamino)carbonyl]benzoic acid
Basic information
- CAS
724455-77-0- Standard SMILES
Nc1ccc(C(=O)Nc2ccncc2)c(C(=O)O)c1- InChIKey
CAWREFKAEFDTKJ-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
Names & identifiers
- Preferred name
- 5-Amino-2-[(4-pyridinylamino)carbonyl]benzoic acid
- IUPAC
- 5-amino-2-(pyridin-4-ylcarbamoyl)benzoic acid
- English name
- Benzoic acid, 5-amino-2-[(4-pyridinylamino)carbonyl]- (9CI)
- Molecular formula
- C13H11N3O3
- Molecular weight
- 257.24
Names & synonyms
724455-77-05-amino-2-[(4-pyridinylamino)carbonyl]benzoic acidBenzoic acid, 5-amino-2-[(4-pyridinylamino)carbonyl]- (9CI)DB-274608AQ-360/42570700BENZOIC ACID, 5-AMINO-2-[(4-PYRIDINYLAMINO)CARBONYL]-
Database identifiers
- CAS
724455-77-0
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…