[2-(aminomethyl)pyridin-3-yl]methanol

• ChemBase ID: 810558
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: NCc1ncccc1CO
• Canonical SMILES: NCc1ncccc1CO
• InChI: InChI=1S/C7H10N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-3,10H,4-5,8H2
• InChIKey: VHJRBWKKDIFLHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(aminomethyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [2-(aminomethyl)pyridin-3-yl]methanol
• Synonyms: 3-(HYDROXYMETHYL)-2-PYRIDINEMETHYLAMINE

Database IDs

• CAS Number: 885523-70-6

CALCULATED PROPERTIES

• Acid pKa: 14.6132555
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2950797
• LogD (pH = 7.4): -1.6114182
• Log P: -0.80453604
• Molar Refractivity: 38.6682 cm^3
• Polarizability: 15.24662 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%