Basic information
- Standard SMILES
O=C(O)c1cc(Br)cc(-c2cccnc2)c1- InChIKey
LZOICCVVUUJVKQ-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO2
- Average molar mass
- 278.1 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-5-(3-pyridyl)benzoic Acid
- IUPAC
- 3-bromo-5-pyridin-3-ylbenzoic acid
Names & synonyms
3-Bromo-5-(3-pyridyl)benzoic AcidSCHEMBL5226019LZOICCVVUUJVKQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21942519
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
2 records
Compound notes
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