2-chloro-6-(trifluoromethyl)pyridin-3-amine

• ChemBase ID: 10162
• Molecular Formular: C6H4ClF3N2
• Molecular Mass: 196.5575696
• Monoisotopic Mass: 196.00151048
• SMILES: c1c(nc(c(c1)N)Cl)C(F)(F)F
• Canonical SMILES: Nc1ccc(nc1Cl)C(F)(F)F
• InChI: InChI=1S/C6H4ClF3N2/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H,11H2
• InChIKey: QAZZMFLLNSJCLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(trifluoromethyl)pyridin-3-amine
• IUPAC Traditional name: 2-chloro-6-(trifluoromethyl)pyridin-3-amine
• Synonyms: 3-Amino-2-chloro-6-(trifluoromethyl)pyridine; 2-Chloro-6-(trifluoromethyl)pyridin-3-amine; 3-Amino-2-chloro-6-(trifluoromethyl)pyridine 98%; 2-chloro-6-trifluoromethyl-pyridin-3-ylamine

Database IDs

• CAS Number: 117519-09-2
• MDL Number: MFCD01862661
• PubChem SID: 160973469
• PubChem CID: 2737646

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.014568
• LogD (pH = 7.4): 2.014568
• Log P: 2.014568
• Molar Refractivity: 40.0693 cm^3
• Polarizability: 13.9683895 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92-94°C

Safety Information

• Storage Warning: Toxic
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%