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

• ChemBase ID: 101701
• Molecular Formular: C7H7F3N2
• Molecular Mass: 176.1390896
• Monoisotopic Mass: 176.05613289
• SMILES: n1c(C(F)(F)F)ccc(c1C)N
• Canonical SMILES: Nc1ccc(nc1C)C(F)(F)F
• InChI: InChI=1S/C7H7F3N2/c1-4-5(11)2-3-6(12-4)7(8,9)10/h2-3H,11H2,1H3
• InChIKey: FUJKUIAVFVGTGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(trifluoromethyl)pyridin-3-amine
• IUPAC Traditional name: 2-methyl-6-(trifluoromethyl)pyridin-3-amine
• Synonyms: 2-methyl-6-(trifluoromethyl)pyridin-3-amine; 2-Methyl-6-trifluoromethyl-3-pyridinamine; 3-Amino-2-methyl-6-(trifluoromethyl)pyridine; 2-methyl-6-(trifluoromethyl)pyridin-3-ylamine

Database IDs

• CAS Number: 383907-17-3
• MDL Number: MFCD01311991
• PubChem SID: 162086825
• PubChem CID: 3521850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3208516
• LogD (pH = 7.4): 1.3217055
• Log P: 1.3217164
• Molar Refractivity: 38.7947 cm^3
• Polarizability: 13.60805 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106-108°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95+%; 97%; 98%