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

• ChemBase ID: 276150
• Molecular Formular: C6H3Cl2N3O2S
• Molecular Mass: 252.07792
• Monoisotopic Mass: 250.93230271
• SMILES: c1(nc2n(n1)ccc(c2)Cl)S(=O)(=O)Cl
• Canonical SMILES: Clc1ccn2c(c1)nc(n2)S(=O)(=O)Cl
• InChI: InChI=1S/C6H3Cl2N3O2S/c7-4-1-2-11-5(3-4)9-6(10-11)14(8,12)13/h1-3H
• InChIKey: WRBXDCXDCFWVNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382054
• PubChem SID: 164332060
• PubChem CID: 54594026

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.393941
• LogD (pH = 7.4): 2.393941
• Log P: 2.393941
• Molar Refractivity: 63.6967 cm^3
• Polarizability: 20.630796 Å^3
• Polar Surface Area: 64.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.747

Product Information

• Purity: 95%