pyridin-4-ylmethanol hydrochloride

• ChemBase ID: 293691
• Molecular Formular: C6H8ClNO
• Molecular Mass: 145.58682
• Monoisotopic Mass: 145.02944156
• SMILES: OCc1ccncc1.Cl
• Canonical SMILES: OCc1ccncc1.Cl
• InChI: InChI=1S/C6H7NO.ClH/c8-5-6-1-3-7-4-2-6;/h1-4,8H,5H2;1H
• InChIKey: NKBJHERHVXOEIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-4-ylmethanol hydrochloride
• IUPAC Traditional name: 4-pyridinemethanol hydrochloride
• Synonyms: Pyridin-4-ylmethanol hydrochloride

Database IDs

• CAS Number: 62302-28-7
• MDL Number: MFCD00230715
• PubChem SID: 180679222
• PubChem CID: 12228437

CALCULATED PROPERTIES

• Acid pKa: 14.795814
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.116289005
• LogD (pH = 7.4): -0.013308825
• Log P: -0.011776378
• Molar Refractivity: 30.717 cm^3
• Polarizability: 11.881411 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%