Basic information
- Standard SMILES
Cc1ccc(-c2cc(I)cc(C(=O)O)c2)nc1- InChIKey
YRBPBVHHBVWPLN-UHFFFAOYSA-N- Molecular formula
- C13H10INO2
- Average molar mass
- 339.13 g/mol
- Monoisotopic mass
- 338.97563
Names & identifiers
- Preferred name
- 3-Iodo-5-(5-methyl-pyridin-2-yl)-benzoic acid
- IUPAC
- 3-iodo-5-(5-methyl-2-pyridinyl)benzoic acid
Names & synonyms
SCHEMBL409583YRBPBVHHBVWPLN-UHFFFAOYSA-N3-iodo-5-(5-methyl-pyridin-2-yl)-benzoic acid
Database identifiers
- PubChem CID
- 59599701
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
7 records
Compound notes
Loading…