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

• ChemBase ID: 54018
• Molecular Formular: C7H6ClF3N2
• Molecular Mass: 210.5841496
• Monoisotopic Mass: 210.01716054
• SMILES: c1c(nc(cc1C(F)(F)F)Cl)NC
• Canonical SMILES: CNc1nc(Cl)cc(c1)C(F)(F)F
• InChI: InChI=1S/C7H6ClF3N2/c1-12-6-3-4(7(9,10)11)2-5(8)13-6/h2-3H,1H3,(H,12,13)
• InChIKey: RFATTWKJSLOMMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
• Synonyms: (6-Chloro-4-(trifluoromethyl)pyridin-2-yl)-methylamine

Database IDs

• MDL Number: MFCD15142767
• PubChem SID: 162058781
• PubChem CID: 56832325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5245008
• LogD (pH = 7.4): 2.5248747
• Log P: 2.5248795
• Molar Refractivity: 46.2482 cm^3
• Polarizability: 15.730427 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%