6-(aminomethyl)pyridin-2-ol hydrochloride

• ChemBase ID: 90488
• Molecular Formular: C6H9ClN2O
• Molecular Mass: 160.60146
• Monoisotopic Mass: 160.0403406
• SMILES: n1c(cccc1CN)O.Cl
• Canonical SMILES: NCc1cccc(n1)O.Cl
• InChI: InChI=1S/C6H8N2O.ClH/c7-4-5-2-1-3-6(9)8-5;/h1-3H,4,7H2,(H,8,9);1H
• InChIKey: HOMZDUVBYKVPOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(aminomethyl)pyridin-2-ol hydrochloride
• IUPAC Traditional name: 6-(aminomethyl)pyridin-2-ol hydrochloride
• Synonyms: 6-(Aminomethyl)pyridin-2-ol hydrochloride; (6-Hydroxypyridin-2-yl)methylamine hydrochloride; 6-(Aminomethyl)-2-hydroxypyridine hydrochloride

Database IDs

• CAS Number: 131052-62-5
• MDL Number: MFCD13619878
• PubChem SID: 162077288
• PubChem CID: 21243522

CALCULATED PROPERTIES

• Acid pKa: 11.120055
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3035104
• LogD (pH = 7.4): -0.6359022
• Log P: 0.25370592
• Molar Refractivity: 34.1467 cm^3
• Polarizability: 13.400612 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold