(6-chloro-2-methylpyridin-3-yl)methanol

• ChemBase ID: 243754
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: n1c(c(ccc1Cl)CO)C
• Canonical SMILES: Cc1nc(Cl)ccc1CO
• InChI: InChI=1S/C7H8ClNO/c1-5-6(4-10)2-3-7(8)9-5/h2-3,10H,4H2,1H3
• InChIKey: CTCQLOYWGIDQDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloro-2-methylpyridin-3-yl)methanol
• IUPAC Traditional name: (6-chloro-2-methylpyridin-3-yl)methanol
• Synonyms: (6-chloro-2-methylpyridin-3-yl)methanol

Database IDs

• MDL Number: MFCD13689158
• PubChem SID: 164299664
• PubChem CID: 59525984

CALCULATED PROPERTIES

• Acid pKa: 14.694649
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9437703
• LogD (pH = 7.4): 0.94381505
• Log P: 0.94381565
• Molar Refractivity: 41.1746 cm^3
• Polarizability: 15.601739 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.303

Product Information

• Purity: 95%