2-(5-methyl-1H-pyrazol-3-yl)pyridine

• ChemBase ID: 288557
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: Cc1cc(c2ncccc2)n[nH]1
• Canonical SMILES: Cc1[nH]nc(c1)c1ccccn1
• InChI: InChI=1S/C9H9N3/c1-7-6-9(12-11-7)8-4-2-3-5-10-8/h2-6H,1H3,(H,11,12)
• InChIKey: KFJQEHNCMPSEJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1H-pyrazol-3-yl)pyridine
• IUPAC Traditional name: 2-(5-methyl-1H-pyrazol-3-yl)pyridine
• Synonyms: 2-(5-Methyl-1H-pyrazol-3-yl)pyridine

Database IDs

• CAS Number: 19959-77-4
• MDL Number: MFCD11840239
• PubChem SID: 180674088
• PubChem CID: 2755568

CALCULATED PROPERTIES

• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.374139
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6781634
• LogD (pH = 7.4): 1.6782436
• Log P: 1.6782447
• Molar Refractivity: 47.1304 cm^3
• Polarizability: 18.99071 Å^3

PROPERTIES

Product Information

• Purity: 95+%; 97%