Basic information
- Standard SMILES
COC(=O)c1cc(Br)nc(-c2ccc(OC)c(Cl)c2)c1N- InChIKey
WMYHXVXTNQQOKB-UHFFFAOYSA-N- Molecular formula
- C14H12BrClN2O3
- Average molar mass
- 371.61 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-6-bromo-2-(3-chloro-4-methoxyphenyl)isonicotinate
- IUPAC
- methyl 3-amino-6-bromo-2-(3-chloro-4-methoxyphenyl)pyridine-4-carboxylate
Names & synonyms
SCHEMBL110399WMYHXVXTNQQOKB-UHFFFAOYSA-Nmethyl 3-amino-6-bromo-2-(3-chloro-4-methoxyphenyl)isonicotinate
Database identifiers
- PubChem CID
- 86663013
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
2 records
Compound notes
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