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

• ChemBase ID: 88343
• Molecular Formular: C7H8ClNO2
• Molecular Mass: 173.59692
• Monoisotopic Mass: 173.02435618
• SMILES: n1c(c(ccc1OC)Cl)CO
• Canonical SMILES: COc1ccc(c(n1)CO)Cl
• InChI: InChI=1S/C7H8ClNO2/c1-11-7-3-2-5(8)6(4-10)9-7/h2-3,10H,4H2,1H3
• InChIKey: DWFDZLRSZOVFBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-6-methoxypyridin-2-yl)methanol
• IUPAC Traditional name: (3-chloro-6-methoxypyridin-2-yl)methanol
• Synonyms: (3-Chloro-6-methoxypyridin-2-yl)methanol; 3-Chloro-2-(hydroxymethyl)-6-methoxypyridine

Database IDs

• PubChem SID: 162104616
• PubChem CID: 51341990

CALCULATED PROPERTIES

• Acid pKa: 13.952915
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1105214
• LogD (pH = 7.4): 1.1105263
• Log P: 1.1105264
• Molar Refractivity: 41.7763 cm^3
• Polarizability: 16.356495 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon