6-chloro-3-methylpyridine-2-carbaldehyde

• ChemBase ID: 65621
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: c1(c(nc(cc1)Cl)C=O)C
• Canonical SMILES: O=Cc1nc(Cl)ccc1C
• InChI: InChI=1S/C7H6ClNO/c1-5-2-3-7(8)9-6(5)4-10/h2-4H,1H3
• InChIKey: OQTISOPNIFMIJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-methylpyridine-2-carbaldehyde
• IUPAC Traditional name: 6-chloro-3-methylpyridine-2-carbaldehyde
• Synonyms: 6-Chloro-3-methylpicolinaldehyde

Database IDs

• CAS Number: 1211537-07-3
• MDL Number: MFCD18258009
• PubChem SID: 162031360
• PubChem CID: 19361726

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4802606
• LogD (pH = 7.4): 2.480262
• Log P: 2.480262
• Molar Refractivity: 41.0072 cm^3
• Polarizability: 15.052551 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%