5-bromo-N,N,4-trimethylpyridin-2-amine

• ChemBase ID: 48285
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: c1(ncc(c(c1)C)Br)N(C)C
• Canonical SMILES: CN(c1ncc(c(c1)C)Br)C
• InChI: InChI=1S/C8H11BrN2/c1-6-4-8(11(2)3)10-5-7(6)9/h4-5H,1-3H3
• InChIKey: FEJQYAMMSIPZQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,N,4-trimethylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N,N,4-trimethylpyridin-2-amine
• Synonyms: 5-Bromo-N,N,4-trimethyl-2-pyridinamine; 5-BROMO-N,N,4-TRIMETHYLPYRIDIN-2-AMINE

Database IDs

• CAS Number: 764651-68-5
• MDL Number: MFCD08272097
• PubChem SID: 162053048
• PubChem CID: 52988102

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3723488
• LogD (pH = 7.4): 2.732692
• Log P: 2.7402487
• Molar Refractivity: 51.3072 cm^3
• Polarizability: 18.813978 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%