[6-(pyrrolidin-1-yl)pyridin-3-yl]methanol

• ChemBase ID: 77123
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1cc(ccc1N1CCCC1)CO
• Canonical SMILES: OCc1ccc(nc1)N1CCCC1
• InChI: InChI=1S/C10H14N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6,8H2
• InChIKey: RQBADLNZUDDIRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(pyrrolidin-1-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(pyrrolidin-1-yl)pyridin-3-yl]methanol
• Synonyms: (6-(pyrrolidin-1-yl)pyridin-3-yl)methanol; [6-(Pyrrolidin-1-yl)pyridin-3-yl]methanol; 3-(Hydroxymethyl)-6-(pyrrolidin-1-yl)pyridine

Database IDs

• CAS Number: 690632-01-0
• MDL Number: MFCD05865144
• PubChem SID: 162041997
• PubChem CID: 2794774

CALCULATED PROPERTIES

• Acid pKa: 14.842656
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5130631
• LogD (pH = 7.4): 1.0797687
• Log P: 1.0965225
• Molar Refractivity: 53.0001 cm^3
• Polarizability: 19.65926 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 98%