2-chloro-6-methylpyridine-3-carbaldehyde

• ChemBase ID: 808934
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: c1c(c(nc(c1)C)Cl)C=O
• Canonical SMILES: Cc1ccc(c(n1)Cl)C=O
• InChI: InChI=1S/C7H6ClNO/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3
• InChIKey: SXDBLLSINHOGPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methylpyridine-3-carbaldehyde
• IUPAC Traditional name: 2-chloro-6-methylpyridine-3-carbaldehyde
• Synonyms: 2-CHLORO-3-FORMYL-6-PICOLINE

Database IDs

• CAS Number: 91591-69-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4236555
• LogD (pH = 7.4): 1.4236676
• Log P: 1.4236678
• Molar Refractivity: 40.9427 cm^3
• Polarizability: 15.063362 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%