3-bromo-5,6-dimethylpyridin-2-amine

• ChemBase ID: 159859
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: c1c(c(nc(c1Br)N)C)C
• Canonical SMILES: Cc1nc(N)c(cc1C)Br
• InChI: InChI=1S/C7H9BrN2/c1-4-3-6(8)7(9)10-5(4)2/h3H,1-2H3,(H2,9,10)
• InChIKey: PZIWHEZMEJMJLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5,6-dimethylpyridin-2-amine
• IUPAC Traditional name: 3-bromo-5,6-dimethylpyridin-2-amine
• Synonyms: 3-Bromo-5,6-dimethyl-2-pyridinamine; 2-Amino-3-bromo-5,6-dimethylpyridine

Database IDs

• CAS Number: 161091-49-2
• PubChem SID: 162253994
• PubChem CID: 4605855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1038078
• LogD (pH = 7.4): 1.9021758
• Log P: 1.9346491
• Molar Refractivity: 46.1705 cm^3
• Polarizability: 16.937155 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Light Brown Solid