chempirical

2-Bromoisonicotinamide

C6H5BrN2OCAS 29840-73-1201.02 g/mol

Open in Covalent MOL file
NONH2Br
AmideAryl halide

Properties

Molecular formula
C6H5BrN2O
Molar mass
201.02 g/mol
Exact mass
199.9585 Da
logP
0.94Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
29840-73-1
SMILES
C1=CN=C(C=C1C(=O)N)Br
InChIKey
KCELTDZFDHPTBI-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)

Weigh it out

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

Names and synonyms

1 names
  • 2-Bromo-isonicotinamide

Work with 2-Bromoisonicotinamide

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

2-Aminoisonicotinamide13538-42-659 % similar 2-Chloroisonicotinamide100859-84-558 % similar 2-Bromo-isonicotinic acid methyl ester26156-48-956 % similar Isonicotinamide1453-82-350 % similar 4-Bromo-3-methylbenzamide170229-98-847 % similar 4-Bromobenzamide698-67-944 % similar 2-Bromo-4-pyridinecarboxaldehyde118289-17-143 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-943 % similar

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

Same formula

1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-6 6-Bromo-2-pyridinecarboxamide25194-52-9 5-Bromonicotinamide28733-43-9

Elsewhere

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