Basic information
- Standard SMILES
O=C(O)c1ccc(Nc2cc(-c3cccnc3)ccn2)cc1- InChIKey
KCDIDUDOINEBMH-UHFFFAOYSA-N- Molecular formula
- C17H13N3O2
- Average molar mass
- 291.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-(Pyridin-3-yl)pyridin-2-ylamino)benzoic acid
- IUPAC
- 4-[(4-pyridin-3-yl-2-pyridinyl)amino]benzoic acid
Names & synonyms
SCHEMBL5584106KCDIDUDOINEBMH-UHFFFAOYSA-N4-(4-(Pyridin-3-yl)pyridin-2-ylamino)benzoic acid
Database identifiers
- PubChem CID
- 69497705
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Related reactions
1 records
Compound notes
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