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

• ChemBase ID: 40634
• Molecular Formular: C7H8Cl2F3N3
• Molecular Mass: 262.0597296
• Monoisotopic Mass: 261.00473729
• SMILES: c1(cnc(c(c1)Cl)N(N)C)C(F)(F)F.Cl
• Canonical SMILES: CN(c1ncc(cc1Cl)C(F)(F)F)N.Cl
• InChI: InChI=1S/C7H7ClF3N3.ClH/c1-14(12)6-5(8)2-4(3-13-6)7(9,10)11;/h2-3H,12H2,1H3;1H
• InChIKey: QHHFUBWGSNLJOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine hydrochloride
• IUPAC Traditional name: 3-chloro-2-(1-methylhydrazin-1-yl)-5-(trifluoromethyl)pyridine hydrochloride
• Synonyms: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-methylhydrazine hydrochloride; 3-Chloro-2-(1-methylhydrazino)-5-(trifluoromethyl)pyridine hydrochloride; 3-Chloro-2-(1-methylhydrazino)-5-(trifluoromethyl) pyridine hydrochloride

Database IDs

• MDL Number: MFCD03791252
• PubChem SID: 162045397
• PubChem CID: 2783095

CALCULATED PROPERTIES

• 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
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.049285
• LogD (pH = 7.4): 2.2667994
• Log P: 2.2704828

PROPERTIES

Physical Property

• Melting Point: 219 - 222 °C; 219-222°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%