2,6-dichloro-4-(trifluoromethyl)pyridin-3-amine

• ChemBase ID: 6588
• Molecular Formular: C6H3Cl2F3N2
• Molecular Mass: 231.0026296
• Monoisotopic Mass: 229.96253813
• SMILES: c1c(nc(c(c1C(F)(F)F)N)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)c(c(c1)C(F)(F)F)N
• InChI: InChI=1S/C6H3Cl2F3N2/c7-3-1-2(6(9,10)11)4(12)5(8)13-3/h1H,12H2
• InChIKey: BVJJNBRZQVLPIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-(trifluoromethyl)pyridin-3-amine
• IUPAC Traditional name: 2,6-dichloro-4-(trifluoromethyl)pyridin-3-amine
• Synonyms: 3-Amino-2,6-dichloro-4-(trifluoromethyl)-pyridine; 3-Amino-2,6-dichloro-4-(trifluoromethyl)pyridine 98%; 2,6-dichloro-4-(trifluoromethyl)pyridin-3-amine

Database IDs

• CAS Number: 175277-67-5
• MDL Number: MFCD00173957
• PubChem SID: 160969895
• PubChem CID: 2735898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4529395
• LogD (pH = 7.4): 2.4529395
• Log P: 2.4529395
• Molar Refractivity: 46.3074 cm^3
• Polarizability: 16.028606 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-48°C

Safety Information

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

Product Information

• Purity: 97%; 98%