2-{[1,2,3]triazolo[1,5-a]pyridin-3-yl}pyridine

• ChemBase ID: 92000
• Molecular Formular: C11H8N4
• Molecular Mass: 196.20802
• Monoisotopic Mass: 196.07489628
• SMILES: n12ccccc1c(c1ncccc1)nn2
• Canonical SMILES: c1ccc(nc1)c1nnn2c1cccc2
• InChI: InChI=1S/C11H8N4/c1-3-7-12-9(5-1)11-10-6-2-4-8-15(10)14-13-11/h1-8H
• InChIKey: UOTWLIQIOIIOSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1,2,3]triazolo[1,5-a]pyridin-3-yl}pyridine
• IUPAC Traditional name: 2-{[1,2,3]triazolo[1,5-a]pyridin-3-yl}pyridine
• Synonyms: 3-Pyridin-2-yl[1,2,3]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 947-88-6
• MDL Number: MFCD08062393
• PubChem SID: 162078698
• PubChem CID: 10899554

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3235548
• LogD (pH = 7.4): 2.3235607
• Log P: 2.3235607
• Molar Refractivity: 66.5702 cm^3
• Polarizability: 23.183136 Å^3
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant