6-chloro-4-methylpyridine-2-carbaldehyde

• ChemBase ID: 815059
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: c1(cc(nc(c1)C=O)Cl)C
• Canonical SMILES: O=Cc1cc(C)cc(n1)Cl
• InChI: InChI=1S/C7H6ClNO/c1-5-2-6(4-10)9-7(8)3-5/h2-4H,1H3
• InChIKey: OIZDVTKPXTZHFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-methylpyridine-2-carbaldehyde
• IUPAC Traditional name: 6-chloro-4-methylpyridine-2-carbaldehyde
• Synonyms: 6-chloro-4-methylpicolinaldehyde

Database IDs

• CAS Number: 1060804-70-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4802587
• LogD (pH = 7.4): 2.480262
• Log P: 2.480262
• Molar Refractivity: 41.0072 cm^3
• Polarizability: 15.05419 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%