[2-(pyrrolidin-1-yl)pyridin-4-yl]methanol

• ChemBase ID: 78579
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1ccc(cc1N1CCCC1)CO
• Canonical SMILES: OCc1ccnc(c1)N1CCCC1
• InChI: InChI=1S/C10H14N2O/c13-8-9-3-4-11-10(7-9)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6,8H2
• InChIKey: AGJOWKGAYXTDCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyrrolidin-1-yl)pyridin-4-yl]methanol
• IUPAC Traditional name: [2-(pyrrolidin-1-yl)pyridin-4-yl]methanol
• Synonyms: (2-pyrrolidin-1-ylpyrid-4-yl)methanol; (2-Pyrrolidin-1-ylpyridin-4-yl)methanol; 4-(Hydroxymethyl)-2-(pyrrolidin-1-yl)pyridine 97+%

Database IDs

• CAS Number: 906352-65-6
• MDL Number: MFCD08741433
• PubChem SID: 162043342
• PubChem CID: 18525846

CALCULATED PROPERTIES

• Acid pKa: 14.899247
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.30570763
• LogD (pH = 7.4): 1.0636601
• Log P: 1.0965225
• Molar Refractivity: 53.0001 cm^3
• Polarizability: 19.658941 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: 97%