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

• ChemBase ID: 91365
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(c(c(cc1C)C)N)Br
• Canonical SMILES: Cc1cc(C)c(c(n1)Br)N
• InChI: InChI=1S/C7H9BrN2/c1-4-3-5(2)10-7(8)6(4)9/h3H,9H2,1-2H3
• InChIKey: YHCPMPRWVKYCQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4,6-dimethylpyridin-3-amine
• IUPAC Traditional name: 2-bromo-4,6-dimethylpyridin-3-amine
• Synonyms: 2-Bromo-4,6-dimethylpyridin-3-amine; 3-Amino-2-bromo-4,6-dimethylpyridine 97%; 2-Bromo-4,6-dimethyl-pyridin-3-ylamine

Database IDs

• CAS Number: 104829-98-3
• MDL Number: MFCD03731181
• PubChem SID: 162078064
• PubChem CID: 2049307

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5425966
• LogD (pH = 7.4): 1.5456742
• Log P: 1.5457137
• Molar Refractivity: 46.6992 cm^3
• Polarizability: 16.98516 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.795

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 95+%