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

• ChemBase ID: 51625
• Molecular Formular: C10H13FN2O
• Molecular Mass: 196.2214232
• Monoisotopic Mass: 196.10119127
• SMILES: c1c(nc(c(c1)CO)F)N1CCCC1
• Canonical SMILES: OCc1ccc(nc1F)N1CCCC1
• InChI: InChI=1S/C10H13FN2O/c11-10-8(7-14)3-4-9(12-10)13-5-1-2-6-13/h3-4,14H,1-2,5-7H2
• InChIKey: RNUQRVOOLHSXKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl]methanol
• Synonyms: (2-Fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)methanol; (2-Fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)methanol

Database IDs

• MDL Number: MFCD15530296
• PubChem SID: 162056388
• PubChem CID: 46318159

CALCULATED PROPERTIES

• Acid pKa: 14.366088
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6331534
• LogD (pH = 7.4): 1.633155
• Log P: 1.6331551
• Molar Refractivity: 54.2312 cm^3
• Polarizability: 19.364244 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H13FN2O

DETAILS

Sigma Aldrich - ADE000814

Other Notes
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