2-(5-methyl-1H-pyrazol-1-yl)pyridine

• ChemBase ID: 241830
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1(nccc1C)c1ncccc1
• Canonical SMILES: Cc1ccnn1c1ccccn1
• InChI: InChI=1S/C9H9N3/c1-8-5-7-11-12(8)9-4-2-3-6-10-9/h2-7H,1H3
• InChIKey: COTNQJPITRTSCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1H-pyrazol-1-yl)pyridine
• IUPAC Traditional name: 2-(5-methylpyrazol-1-yl)pyridine
• Synonyms: 2-(5-methyl-1H-pyrazol-1-yl)pyridine

Database IDs

• MDL Number: MFCD16042690
• PubChem SID: 164297740
• PubChem CID: 58975469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6352304
• LogD (pH = 7.4): 1.6354085
• Log P: 1.6354108
• Molar Refractivity: 47.726 cm^3
• Polarizability: 17.599218 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34 - 36°C
• Hydrophobicity(logP): 1.386

Product Information

• Purity: 95%