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

• ChemBase ID: 286976
• Molecular Formular: C6H4IN3
• Molecular Mass: 245.02053
• Monoisotopic Mass: 244.94499514
• SMILES: Ic1cn2c(cc1)ncn2
• Canonical SMILES: Ic1ccc2n(c1)ncn2
• InChI: InChI=1S/C6H4IN3/c7-5-1-2-6-8-4-9-10(6)3-5/h1-4H
• InChIKey: CDWWPXNAXCMGFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodo-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 6-iodo-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 6-Iodo-[1,2,4]triazolo[1,5-a]pyridine; 6-Iodo-1,2,4-triazolo[1,5-a]pyridine; 6-碘[1,2,3]三唑并[1,5-a]吡啶

Database IDs

• CAS Number: 614750-84-4
• MDL Number: MFCD06797552
• PubChem SID: 180672507
• PubChem CID: 17750141

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0930185
• LogD (pH = 7.4): 2.0937424
• Log P: 2.0937517
• Molar Refractivity: 58.1142 cm^3
• Polarizability: 17.705135 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 97%