2-chloro-6-(1-methylhydrazin-1-yl)-4-(trifluoromethyl)pyridine

• ChemBase ID: 54002
• Molecular Formular: C7H7ClF3N3
• Molecular Mass: 225.5987896
• Monoisotopic Mass: 225.02805958
• SMILES: c1c(nc(cc1C(F)(F)F)Cl)N(N)C
• Canonical SMILES: Clc1nc(cc(c1)C(F)(F)F)N(N)C
• InChI: InChI=1S/C7H7ClF3N3/c1-14(12)6-3-4(7(9,10)11)2-5(8)13-6/h2-3H,12H2,1H3
• InChIKey: KSQPQFLFBRCOON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(1-methylhydrazin-1-yl)-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-6-(1-methylhydrazin-1-yl)-4-(trifluoromethyl)pyridine
• Synonyms: N-(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)-N-methylhydrazine

Database IDs

• MDL Number: MFCD11052356
• PubChem SID: 162058765
• PubChem CID: 56832320

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.465827
• LogD (pH = 7.4): 2.490339
• Log P: 2.49066
• Molar Refractivity: 59.5664 cm^3
• Polarizability: 17.151712 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%