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

• ChemBase ID: 9567
• Molecular Formular: C7H7ClF3N3
• Molecular Mass: 225.5987896
• Monoisotopic Mass: 225.02805958
• SMILES: c1(cnc(c(c1)Cl)N(N)C)C(F)(F)F
• Canonical SMILES: CN(c1ncc(cc1Cl)C(F)(F)F)N
• InChI: InChI=1S/C7H7ClF3N3/c1-14(12)6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,12H2,1H3
• InChIKey: YGPUMJSRBNTPNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine
• IUPAC Traditional name: 3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine
• Synonyms: 1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]-1-methylhydrazine; 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-methylhydrazine; 3-Chloro-2-(1-methylhydrazino)-5-(trifluoromethyl)pyridine 97%; 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-methylhydrazine; 3-Chloro-2-(1-Methylhydrazinyl)-5-(trifluoroMethyl)pyridine

Database IDs

• CAS Number: 138949-13-0
• MDL Number: MFCD00052293
• PubChem SID: 160972874
• PubChem CID: 2736703

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.049285
• LogD (pH = 7.4): 2.2667994
• Log P: 2.2704828
• Molar Refractivity: 58.5051 cm^3
• Polarizability: 17.117353 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 72°C/0.5mm

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%