4-chloro-6-methylpyridine-2-carbaldehyde

• ChemBase ID: 807221
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: n1c(cc(cc1C)Cl)C=O
• Canonical SMILES: O=Cc1cc(Cl)cc(n1)C
• InChI: InChI=1S/C7H6ClNO/c1-5-2-6(8)3-7(4-10)9-5/h2-4H,1H3
• InChIKey: BVOFNVZEGBHZAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methylpyridine-2-carbaldehyde
• IUPAC Traditional name: 4-chloro-6-methylpyridine-2-carbaldehyde
• Synonyms: 4-CHLORO-6-METHYL-PYRIDINE-2-CARBALDEHYDE

Database IDs

• CAS Number: 98273-77-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8759109
• LogD (pH = 7.4): 1.8780069
• Log P: 1.8780336
• Molar Refractivity: 39.4962 cm^3
• Polarizability: 14.998603 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%