7-iodo-[1,2,4]triazolo[1,5-a]pyridine

• ChemBase ID: 287015
• Molecular Formular: C6H4IN3
• Molecular Mass: 245.02053
• Monoisotopic Mass: 244.94499514
• SMILES: Ic1cc2ncnn2cc1
• Canonical SMILES: Ic1ccn2c(c1)ncn2
• InChI: InChI=1S/C6H4IN3/c7-5-1-2-10-6(3-5)8-4-9-10/h1-4H
• InChIKey: RHSZXENOJXHZSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-iodo-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 7-iodo-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 7-Iodo-[1,2,4]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 690258-25-4
• MDL Number: MFCD09038164
• PubChem SID: 180672546
• PubChem CID: 11536074

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0932443
• LogD (pH = 7.4): 2.0937452
• Log P: 2.0937517
• Molar Refractivity: 58.1142 cm^3
• Polarizability: 17.700848 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%