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

• ChemBase ID: 22300
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: c1c(n[nH]c1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1n[nH]cc1
• InChI: InChI=1S/C8H7N3/c1-2-5-9-7(3-1)8-4-6-10-11-8/h1-6H,(H,10,11)
• InChIKey: HKEWOTUTAYJWQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-pyrazol-3-yl)pyridine
• IUPAC Traditional name: 2-(1H-pyrazol-3-yl)pyridine
• Synonyms: 2-(1H-Pyrazol-3-yl)pyridine; 2-(1H-Pyrazol-3-yl)-pyridine; 3-(Pyridin-2-yl)-1H-pyrazol; 2-(1H-Pyrazol-3-yl)pyridine; 2-(1H-吡唑-3-基)吡啶

Database IDs

• CAS Number: 75415-03-1
• MDL Number: MFCD00115151
• PubChem SID: 160985607
• PubChem CID: 2797657

CALCULATED PROPERTIES

• Acid pKa: 14.173689
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4786423
• LogD (pH = 7.4): 1.4786828
• Log P: 1.4786834
• Molar Refractivity: 41.9807 cm^3
• Polarizability: 17.227013 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-120°C; 121-122°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%