6-chloro-4-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 54015
• Molecular Formular: C6H4ClF3N2
• Molecular Mass: 196.5575696
• Monoisotopic Mass: 196.00151048
• SMILES: c1c(nc(cc1C(F)(F)F)N)Cl
• Canonical SMILES: Nc1nc(Cl)cc(c1)C(F)(F)F
• InChI: InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-5(11)12-4/h1-2H,(H2,11,12)
• InChIKey: CREQAXQASINAFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 6-chloro-4-(trifluoromethyl)pyridin-2-amine
• Synonyms: 6-Chloro-4-trifluoromethyl-pyridin-2-ylamine; 6-CHLORO-4-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE

Database IDs

• CAS Number: 34486-23-2
• MDL Number: MFCD00128898
• PubChem SID: 162058778
• PubChem CID: 13986817

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2226326
• LogD (pH = 7.4): 2.2231684
• Log P: 2.2231753
• Molar Refractivity: 40.7548 cm^3
• Polarizability: 13.962336 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%