[5-(pyrrolidin-1-yl)pyridin-2-yl]methanol

• ChemBase ID: 76021
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1cc(ccc1CO)N1CCCC1
• Canonical SMILES: OCc1ccc(cn1)N1CCCC1
• InChI: InChI=1S/C10H14N2O/c13-8-9-3-4-10(7-11-9)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6,8H2
• InChIKey: GLWULQJNDPJFDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyrrolidin-1-yl)pyridin-2-yl]methanol
• IUPAC Traditional name: [5-(pyrrolidin-1-yl)pyridin-2-yl]methanol
• Synonyms: (5-pyrrolidin-1-ylpyrid-2-yl)methanol; 2-(Hydroxymethyl)-5-(pyrrolidin-1-yl)pyridine; 1-[6-(Hydroxymethyl)pyridin-3-yl]pyrrolidine; [5-(Pyrrolidin-1-yl)pyridin-2-yl]methanol 97%

Database IDs

• CAS Number: 930110-98-8
• MDL Number: MFCD09702371
• PubChem SID: 162040939
• PubChem CID: 24229532

CALCULATED PROPERTIES

• Acid pKa: 14.353717
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4221442
• LogD (pH = 7.4): 0.58104235
• Log P: 0.58353686
• Molar Refractivity: 52.1644 cm^3
• Polarizability: 19.660328 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133.5-136°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%