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

• ChemBase ID: 68725
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(c(cccn1)CO)NC
• Canonical SMILES: CNc1ncccc1CO
• InChI: InChI=1S/C7H10N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,10H,5H2,1H3,(H,8,9)
• InChIKey: VYPMWCUNCNMNOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(methylamino)pyridin-3-yl]methanol
• IUPAC Traditional name: [2-(methylamino)pyridin-3-yl]methanol
• Synonyms: 2-(N-Methylamino)-3-hydroxymethylpyridine; [2-(Methylamino)pyridin-3-yl]methanol; 3-(Hydroxymethyl)-2-(methylamino)pyridine

Database IDs

• CAS Number: 32399-12-5
• MDL Number: MFCD06254696
• PubChem SID: 162034455
• PubChem CID: 4738518

CALCULATED PROPERTIES

• Acid pKa: 14.660508
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7404352
• LogD (pH = 7.4): 0.02205989
• Log P: 0.05545928
• Molar Refractivity: 41.2243 cm^3
• Polarizability: 14.866544 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful
• TSCA Listed: false

Product Information

• Purity: 95+%