Basic information
- Standard SMILES
CC(Cc1ccc(Cl)nc1)C(=O)O- InChIKey
MSURRVLVTLHSGH-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
Names & identifiers
- Preferred name
- 3-(6-Chloropyridin-3-yl)-2-methylpropanoic acid
- IUPAC
- 3-(6-chloro-3-pyridinyl)-2-methylpropanoic acid
Names & synonyms
3-(6-chloropyridin-3-yl)-2-methylpropanoic acid221315-01-1SCHEMBL3067773MSURRVLVTLHSGH-UHFFFAOYSA-NAKOS017532356EN300-1984492
Database identifiers
- PubChem CID
- 54089425
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
10 records
Compound notes
Loading…