2-chloro-6-methylpyridine-4-carbaldehyde

• ChemBase ID: 811809
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: n1c(cc(cc1C)C=O)Cl
• Canonical SMILES: O=Cc1cc(C)nc(c1)Cl
• InChI: InChI=1S/C7H6ClNO/c1-5-2-6(4-10)3-7(8)9-5/h2-4H,1H3
• InChIKey: VXFREJOQLWBEKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methylpyridine-4-carbaldehyde
• IUPAC Traditional name: 2-chloro-6-methylpyridine-4-carbaldehyde
• Synonyms: 2-CHLORO-6-METHYLPYRIDINE-4-CARBOXALDEHYDE

Database IDs

• CAS Number: 479613-16-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4236662
• LogD (pH = 7.4): 1.4236678
• Log P: 1.4236678
• Molar Refractivity: 40.9427 cm^3
• Polarizability: 15.051499 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%