6-bromo-2,4-dimethylpyridin-3-amine

• ChemBase ID: 87494
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(c(c(cc1Br)C)N)C
• Canonical SMILES: Brc1cc(C)c(c(n1)C)N
• InChI: InChI=1S/C7H9BrN2/c1-4-3-6(8)10-5(2)7(4)9/h3H,9H2,1-2H3
• InChIKey: FLDDNTAAWZHAOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,4-dimethylpyridin-3-amine
• IUPAC Traditional name: 6-bromo-2,4-dimethylpyridin-3-amine
• Synonyms: 6-Bromo-2,4-dimethylpyridin-3-amine; 3-Amino-6-bromo-2,4-lutidine; 3-Amino-6-bromo-2,4-dimethylpyridine

Database IDs

• CAS Number: 897733-12-9
• MDL Number: MFCD09864895
• PubChem SID: 162074537
• PubChem CID: 28875347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5401002
• LogD (pH = 7.4): 1.5456425
• Log P: 1.5457137
• Molar Refractivity: 46.6992 cm^3
• Polarizability: 16.981129 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant