6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

• ChemBase ID: 276155
• Molecular Formular: C6H3ClFN3O2S
• Molecular Mass: 235.6233232
• Monoisotopic Mass: 234.96185325
• SMILES: c1(nc2n(n1)cc(cc2)F)S(=O)(=O)Cl
• Canonical SMILES: Fc1ccc2n(c1)nc(n2)S(=O)(=O)Cl
• InChI: InChI=1S/C6H3ClFN3O2S/c7-14(12,13)6-9-5-2-1-4(8)3-11(5)10-6/h1-3H
• InChIKey: PNESZPMEJZWCFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
• IUPAC Traditional name: 6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride
• Synonyms: 6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD19382056
• PubChem SID: 164332065
• PubChem CID: 54594030

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9325981
• LogD (pH = 7.4): 1.9325981
• Log P: 1.9325981
• Molar Refractivity: 59.1083 cm^3
• Polarizability: 18.492329 Å^3
• Polar Surface Area: 64.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.317

Product Information

• Purity: 95%