8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

• ChemBase ID: 71398
• Molecular Formular: C7H4ClF3N4
• Molecular Mass: 236.5816696
• Monoisotopic Mass: 236.00765849
• SMILES: c12n(nc(n1)N)cc(C(F)(F)F)cc2Cl
• Canonical SMILES: FC(c1cc(Cl)c2n(c1)nc(n2)N)(F)F
• InChI: InChI=1S/C7H4ClF3N4/c8-4-1-3(7(9,10)11)2-15-5(4)13-6(12)14-15/h1-2H,(H2,12,14)
• InChIKey: LLAPLJGOFXCNFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• IUPAC Traditional name: 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• Synonyms: 8-Chloro-6-(trifluoromethyl)-[1,2,4]-triazolo[1,5-a]pyridin-2-amine; 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Database IDs

• MDL Number: MFCD22383935
• PubChem SID: 162036988
• PubChem CID: 67335834

CALCULATED PROPERTIES

• Acid pKa: 15.136055
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4963946
• LogD (pH = 7.4): 2.4965582
• Log P: 2.4965603
• Molar Refractivity: 60.1766 cm^3
• Polarizability: 16.9795 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: >95%