5-chloro-2-(1-methylhydrazin-1-yl)-3-(trifluoromethyl)pyridine

• ChemBase ID: 96373
• Molecular Formular: C7H7ClF3N3
• Molecular Mass: 225.5987896
• Monoisotopic Mass: 225.02805958
• SMILES: n1cc(cc(c1N(N)C)C(F)(F)F)Cl
• Canonical SMILES: CN(c1ncc(cc1C(F)(F)F)Cl)N
• InChI: InChI=1S/C7H7ClF3N3/c1-14(12)6-5(7(9,10)11)2-4(8)3-13-6/h2-3H,12H2,1H3
• InChIKey: PSTGWMCTJXPJSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(1-methylhydrazin-1-yl)-3-(trifluoromethyl)pyridine
• IUPAC Traditional name: 5-chloro-2-(1-methylhydrazin-1-yl)-3-(trifluoromethyl)pyridine
• Synonyms: 1-[5-chloro-3-(trifluoromethyl)-2-pyridyl]-1-methylhydrazine

Database IDs

• MDL Number: MFCD00052292
• PubChem SID: 162083022
• PubChem CID: 2781402

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0755293
• LogD (pH = 7.4): 2.2673488
• Log P: 2.2704828
• Molar Refractivity: 58.5051 cm^3
• Polarizability: 17.102238 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true