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

• ChemBase ID: 267043
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: n1(nccc1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)n1cccn1
• InChI: InChI=1S/C8H7N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-7H
• InChIKey: XXTPHXNBKRVYJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09033534
• PubChem SID: 164322953
• PubChem CID: 5324086

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.435696
• LogD (pH = 7.4): 1.4358475
• Log P: 1.4358494
• Molar Refractivity: 42.5763 cm^3
• Polarizability: 15.835866 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37 - 39°C
• Hydrophobicity(logP): 1.117

Product Information

• Purity: 95%