(6-amino-3-chloropyridin-2-yl)methanol

• ChemBase ID: 277474
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1c(c(ccc1N)Cl)CO
• Canonical SMILES: OCc1nc(N)ccc1Cl
• InChI: InChI=1S/C6H7ClN2O/c7-4-1-2-6(8)9-5(4)3-10/h1-2,10H,3H2,(H2,8,9)
• InChIKey: YWZGTHMUKUXMNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-amino-3-chloropyridin-2-yl)methanol
• IUPAC Traditional name: (6-amino-3-chloropyridin-2-yl)methanol
• Synonyms: (6-amino-3-chloropyridin-2-yl)methanol

Database IDs

• MDL Number: MFCD17241356
• PubChem SID: 164333384
• PubChem CID: 53621256

CALCULATED PROPERTIES

• Acid pKa: 14.052234
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.40445828
• LogD (pH = 7.4): 0.43881518
• Log P: 0.43927178
• Molar Refractivity: 40.0135 cm^3
• Polarizability: 14.958256 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): 0.566

Product Information

• Purity: 95%