(6-amino-5-chloropyridin-3-yl)methanol

• ChemBase ID: 269249
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1c(c(cc(c1)CO)Cl)N
• Canonical SMILES: OCc1cnc(c(c1)Cl)N
• InChI: InChI=1S/C6H7ClN2O/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2,(H2,8,9)
• InChIKey: GWHHLIXHBJDKJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-amino-5-chloropyridin-3-yl)methanol
• IUPAC Traditional name: (6-amino-5-chloropyridin-3-yl)methanol
• Synonyms: (6-amino-5-chloropyridin-3-yl)methanol

Database IDs

• MDL Number: MFCD16817529
• PubChem SID: 164325159
• PubChem CID: 17883579

CALCULATED PROPERTIES

• Acid pKa: 14.747485
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.30235493
• LogD (pH = 7.4): 0.35705262
• Log P: 0.3577999
• Molar Refractivity: 40.5357 cm^3
• Polarizability: 14.967115 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.566

Product Information

• Purity: 95%