chempirical

3-Bromo-2,6-pyridinediamine

C5H6BrN3CAS 54903-86-5188.03 g/mol

Open in Covalent MOL file
HNBrNH2HN
Aryl halidePrimary amine

Properties

Molecular formula
C5H6BrN3
Molar mass
188.03 g/mol
Exact mass
186.9745 Da
Melting point
171–172 °C
logP
0.84Crippen estimate
Polar surface area
65.7 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
0

Identifiers

CAS number
54903-86-5
SMILES
N=c1ccc(Br)c(N)[nH]1
InChIKey
JCJSQTQQPDJROR-UHFFFAOYSA-N
InChI
InChI=1S/C5H6BrN3/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H4,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2,6-Pyridinediamine, 3-bromo-
  • 3-Bromo-2,6-diaminopyridine
  • 2,6-Diamino-3-bromopyridine
  • 3-Bromopyridine-2,6-diamine

Work with 3-Bromo-2,6-pyridinediamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-6-chloro-2-pyridinamine358672-65-853 % similar 5-Bromo-6-methyl-2-pyridinamine42753-71-953 % similar 2,6-Diamino-3-phenylazopyridine hydrochloride136-40-341 % similar 2,6-Diaminopyridine141-86-639 % similar 3,4-Dibromobenzenamine615-55-437 % similar 2-Amino-5-bromopyridine1072-97-534 % similar 2,5-Dibromoaniline3638-73-134 % similar 2,5-Diaminopyridine4318-76-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Bromopyridine-2,3-diamine129012-04-0 2,3-Diamino-5-bromopyridine38875-53-5 5-Bromo-3,4-pyridinediamine4635-08-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook