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

• ChemBase ID: 289081
• Molecular Formular: C6H4ClF3N2
• Molecular Mass: 196.5575696
• Monoisotopic Mass: 196.00151048
• SMILES: Nc1ncc(Cl)c(C(F)(F)F)c1
• Canonical SMILES: Nc1ncc(c(c1)C(F)(F)F)Cl
• InChI: InChI=1S/C6H4ClF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12)
• InChIKey: RVHOCQUEFYITIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 5-chloro-4-(trifluoromethyl)pyridin-2-amine
• Synonyms: 5-Chloro-4-(trifluoromethyl)pyridin-2-amine

Database IDs

• CAS Number: 1095823-39-4
• MDL Number: MFCD18255015
• PubChem SID: 180674612
• PubChem CID: 53420311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9614909
• LogD (pH = 7.4): 2.0024483
• Log P: 2.002998
• Molar Refractivity: 39.6935 cm^3
• Polarizability: 13.923291 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%