2-fluoro-6-(4-methyl-1H-pyrazol-1-yl)pyridine

• ChemBase ID: 239183
• Molecular Formular: C9H8FN3
• Molecular Mass: 177.1783232
• Monoisotopic Mass: 177.07022549
• SMILES: n1(ncc(c1)C)c1nc(F)ccc1
• Canonical SMILES: Cc1cnn(c1)c1cccc(n1)F
• InChI: InChI=1S/C9H8FN3/c1-7-5-11-13(6-7)9-4-2-3-8(10)12-9/h2-6H,1H3
• InChIKey: CNMNYQMZUSXPKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(4-methyl-1H-pyrazol-1-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(4-methylpyrazol-1-yl)pyridine
• Synonyms: 2-fluoro-6-(4-methyl-1H-pyrazol-1-yl)pyridine

Database IDs

• MDL Number: MFCD14600323
• PubChem SID: 164295093
• PubChem CID: 61229768

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.485869
• LogD (pH = 7.4): 2.485903
• Log P: 2.4859035
• Molar Refractivity: 48.8486 cm^3
• Polarizability: 17.292337 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.549

Product Information

• Purity: 95%