(4-Bromo-2-chloro-6-methylphenyl) pyridine-4-carboxylate
Basic information
- CAS
848066-13-7- Standard SMILES
Cc1cc(Br)cc(Cl)c1OC(=O)c1ccncc1- InChIKey
MRMHLCIXCARZGG-UHFFFAOYSA-N- Molecular formula
- C13H9BrClNO2
- Average molar mass
- 326.57 g/mol
- Monoisotopic mass
- 324.95052
Names & identifiers
- Preferred name
- (4-Bromo-2-chloro-6-methylphenyl) pyridine-4-carboxylate
- IUPAC
- (4-bromo-2-chloro-6-methylphenyl) pyridine-4-carboxylate
Names & synonyms
(4-bromo-2-chloro-6-methylphenyl) pyridine-4-carboxylateMLS001171597CHEMBL1500230DTXSID701321579HMS2911D15AKOS034082864848066-13-7SMR000595308Z293591614-bromo-2-chloro-6-methylphenyl pyridine-4-carboxylate
Database identifiers
- CAS
848066-13-7- PubChem CID
- 2673554
- DTXSID
DTXSID701321579- ChEMBL
CHEMBL1500230
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
Solubility9.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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