2-chloro-6-methoxypyridine-4-carbaldehyde

• ChemBase ID: 90768
• Molecular Formular: C7H6ClNO2
• Molecular Mass: 171.58104
• Monoisotopic Mass: 171.00870612
• SMILES: n1c(cc(cc1OC)C=O)Cl
• Canonical SMILES: COc1cc(C=O)cc(n1)Cl
• InChI: InChI=1S/C7H6ClNO2/c1-11-7-3-5(4-10)2-6(8)9-7/h2-4H,1H3
• InChIKey: JGLUGWCEIUZBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxypyridine-4-carbaldehyde
• IUPAC Traditional name: 2-chloro-6-methoxypyridine-4-carbaldehyde
• Synonyms: 2-Chloro-6-methoxypyridine-4-carboxaldehyde; 2-Chloro-4-formyl-6-methoxypyridine; 2-Chloro-6-methoxyisonicotinaldehyde; 2-chloro-6-methoxypyridine-4-carbaldehyde; 2-CHLORO-6-METHOXY-4-PYRIDINECARBOXALDEHYDE

Database IDs

• CAS Number: 329794-31-2
• MDL Number: MFCD06410665
• PubChem SID: 162077499
• PubChem CID: 2762976

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7290839
• LogD (pH = 7.4): 1.7290839
• Log P: 1.7290839
• Molar Refractivity: 43.1279 cm^3
• Polarizability: 15.857091 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71 °C; 69-71°C

Safety Information

• Storage Warning: Harmful/Store under Argon

Product Information

• Purity: >95%; 98%