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

• ChemBase ID: 76020
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1(c2nc(ccc2)CO)CCCC1
• Canonical SMILES: OCc1cccc(n1)N1CCCC1
• InChI: InChI=1S/C10H14N2O/c13-8-9-4-3-5-10(11-9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2
• InChIKey: INCLVFBQYYTJLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 868755-48-0
• MDL Number: MFCD09702357
• PubChem SID: 162040938
• PubChem CID: 24229483

CALCULATED PROPERTIES

• Acid pKa: 14.305331
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5369489
• LogD (pH = 7.4): 1.1592345
• Log P: 1.1779944
• Molar Refractivity: 52.4779 cm^3
• Polarizability: 19.660337 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-46.5°C

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Store under Argon

Product Information

• Purity: 97%