2-[difluoro(pyridin-2-yl)methyl]pyridine

• ChemBase ID: 66092
• Molecular Formular: C11H8F2N2
• Molecular Mass: 206.1914264
• Monoisotopic Mass: 206.06555471
• SMILES: c1ccc(nc1)C(c1ccccn1)(F)F
• Canonical SMILES: FC(c1ccccn1)(c1ccccn1)F
• InChI: InChI=1S/C11H8F2N2/c12-11(13,9-5-1-3-7-14-9)10-6-2-4-8-15-10/h1-8H
• InChIKey: XPAVCQLTPWEBHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[difluoro(pyridin-2-yl)methyl]pyridine
• IUPAC Traditional name: 2-[difluoro(pyridin-2-yl)methyl]pyridine
• Synonyms: Difluorodipyridin-2-ylmethane

Database IDs

• MDL Number: MFCD14525529
• PubChem SID: 162031831
• PubChem CID: 45790970

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6571622
• LogD (pH = 7.4): 2.657466
• Log P: 2.6574697
• Molar Refractivity: 50.8044 cm^3
• Polarizability: 19.38816 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%