3,5-dibromopyridine-2,6-diamine

• ChemBase ID: 89228
• Molecular Formular: C5H5Br2N3
• Molecular Mass: 266.9213
• Monoisotopic Mass: 264.88502118
• SMILES: n1c(c(cc(c1N)Br)Br)N
• Canonical SMILES: Brc1cc(Br)c(nc1N)N
• InChI: InChI=1S/C5H5Br2N3/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H4,8,9,10)
• InChIKey: OMHAJKGETRBOCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromopyridine-2,6-diamine
• IUPAC Traditional name: 3,5-dibromopyridine-2,6-diamine
• Synonyms: 2,6-Diamine-3,5-dibromopyridine

Database IDs

• MDL Number: MFCD04113795
• PubChem SID: 162076110
• PubChem CID: 1415859

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6413465
• LogD (pH = 7.4): 1.8212748
• Log P: 1.8241417
• Molar Refractivity: 49.1745 cm^3
• Polarizability: 17.80044 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true