7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

• ChemBase ID: 276152
• Molecular Formular: C7H6ClN3O2S
• Molecular Mass: 231.65944
• Monoisotopic Mass: 230.98692513
• SMILES: c1(nc2n(n1)ccc(c2)C)S(=O)(=O)Cl
• Canonical SMILES: Cc1ccn2c(c1)nc(n2)S(=O)(=O)Cl
• InChI: InChI=1S/C7H6ClN3O2S/c1-5-2-3-11-6(4-5)9-7(10-11)14(8,12)13/h2-4H,1H3
• InChIKey: PZUOJSXZBNPRDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
• IUPAC Traditional name: 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
• Synonyms: 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD19201130
• PubChem SID: 164332062
• PubChem CID: 21464373

CALCULATED PROPERTIES

• Log P: 2.3033175
• Molar Refractivity: 63.9331 cm^3
• Polarizability: 20.379303 Å^3
• Polar Surface Area: 64.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3033175
• LogD (pH = 7.4): 2.3033175

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.965

Product Information

• Purity: 95%