2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine

• ChemBase ID: 96161
• Molecular Formular: C8H10F3N3
• Molecular Mass: 205.1803096
• Monoisotopic Mass: 205.082682
• SMILES: n1cc(cc(c1N(C)C)C(F)(F)F)N
• Canonical SMILES: CN(c1ncc(cc1C(F)(F)F)N)C
• InChI: InChI=1S/C8H10F3N3/c1-14(2)7-6(8(9,10)11)3-5(12)4-13-7/h3-4H,12H2,1-2H3
• InChIKey: JPWUECXMPFRBRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine
• IUPAC Traditional name: 2-N,2-N-dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine
• Synonyms: N2,N2-Dimethyl-3-(trifluoromethyl)pyridine-2,5-diamine

Database IDs

• MDL Number: MFCD02090020
• PubChem SID: 162082810
• PubChem CID: 2781057

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9569272
• LogD (pH = 7.4): 1.4920439
• Log P: 1.5069973
• Molar Refractivity: 49.3173 cm^3
• Polarizability: 16.635115 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic