(6-chloropyridin-2-yl)methanol

• ChemBase ID: 43415
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: n1c(Cl)cccc1CO
• Canonical SMILES: OCc1cccc(n1)Cl
• InChI: InChI=1S/C6H6ClNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
• InChIKey: YKZFSISAODWSQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloropyridin-2-yl)methanol
• IUPAC Traditional name: (6-chloropyridin-2-yl)methanol
• Synonyms: (6-Chloro-2-pyridinyl)methanol; (6-Chloropyridin-2-yl)methanol

Database IDs

• CAS Number: 33674-97-4
• MDL Number: MFCD07774110
• PubChem SID: 162048178
• PubChem CID: 182139

CALCULATED PROPERTIES

• Acid pKa: 14.183655
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8939105
• LogD (pH = 7.4): 0.8939172
• Log P: 0.8939174
• Molar Refractivity: 36.0609 cm^3
• Polarizability: 13.846413 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%