3-chloro-6-methoxypyridine-2-carbaldehyde

• ChemBase ID: 88344
• Molecular Formular: C7H6ClNO2
• Molecular Mass: 171.58104
• Monoisotopic Mass: 171.00870612
• SMILES: n1c(c(ccc1OC)Cl)C=O
• Canonical SMILES: COc1ccc(c(n1)C=O)Cl
• InChI: InChI=1S/C7H6ClNO2/c1-11-7-3-2-5(8)6(4-10)9-7/h2-4H,1H3
• InChIKey: OGXSOYMWBQVQSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-methoxypyridine-2-carbaldehyde
• IUPAC Traditional name: 3-chloro-6-methoxypyridine-2-carbaldehyde
• Synonyms: 3-Chloro-2-formyl-6-methoxypyridine; 3-Chloro-6-methoxypicolinaldehyde; 3-Chloro-6-methoxypyridine-2-carboxaldehyde; 3-chloro-6-methoxypicolinaldehyde

Database IDs

• CAS Number: 1060810-35-6
• MDL Number: MFCD13189327
• PubChem SID: 162075314
• PubChem CID: 51341991

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.183449
• LogD (pH = 7.4): 2.1834497
• Log P: 2.1834497
• Molar Refractivity: 41.6814 cm^3
• Polarizability: 15.819747 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%