5-bromo-6-methylpyridine-2,3-diamine

• ChemBase ID: 238879
• Molecular Formular: C6H8BrN3
• Molecular Mass: 202.05182
• Monoisotopic Mass: 200.99015927
• SMILES: n1c(c(cc(c1C)Br)N)N
• Canonical SMILES: Nc1nc(C)c(cc1N)Br
• InChI: InChI=1S/C6H8BrN3/c1-3-4(7)2-5(8)6(9)10-3/h2H,8H2,1H3,(H2,9,10)
• InChIKey: XFHAYQGHHKCVBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-methylpyridine-2,3-diamine
• IUPAC Traditional name: 5-bromo-6-methylpyridine-2,3-diamine
• Synonyms: 5-bromo-6-methylpyridine-2,3-diamine

Database IDs

• MDL Number: MFCD00160167
• PubChem SID: 164294789
• PubChem CID: 101022

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.19350754
• LogD (pH = 7.4): 0.5636771
• Log P: 0.5923018
• Molar Refractivity: 45.8297 cm^3
• Polarizability: 16.374256 Å^3
• Polar Surface Area: 64.93 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.888

Product Information

• Purity: 95%