5-bromo-N-ethyl-4-methylpyridin-2-amine

• ChemBase ID: 49232
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: n1c(cc(c(c1)Br)C)NCC
• Canonical SMILES: Cc1cc(NCC)ncc1Br
• InChI: InChI=1S/C8H11BrN2/c1-3-10-8-4-6(2)7(9)5-11-8/h4-5H,3H2,1-2H3,(H,10,11)
• InChIKey: CTGSOUMQRZODES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-ethyl-4-methylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N-ethyl-4-methylpyridin-2-amine
• Synonyms: N-(5-Bromo-4-methyl-2-pyridinyl)-N-ethylamine

Database IDs

• MDL Number: MFCD13562343
• PubChem SID: 162053995
• PubChem CID: 53410749

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.02232
• LogD (pH = 7.4): 2.4517486
• Log P: 2.461791
• Molar Refractivity: 51.821 cm^3
• Polarizability: 18.814386 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false