3-Amino-6-bromo-2-pyrazinecarboxylic acid

C₅H₄BrN₃O₂CAS 486424-37-7218.01 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₄BrN₃O₂
Molar mass: 218.01 g/mol
Exact mass: 216.9487 Da
Melting point: 185–186 °C (decomposes)
logP: 0.52Crippen estimate
Polar surface area: 89.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

486424-37-7

SMILES

Nc1ncc(Br)nc1C(=O)O

InChIKey

MTNAQEKMSVDTAQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BrN3O2/c6-2-1-8-4(7)3(9-2)5(10)11/h1H,(H2,7,8)(H,10,11)

Weigh it out

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

Names and synonyms

4 names

2-Pyrazinecarboxylic acid, 3-amino-6-bromo-
Pyrazinecarboxylic acid, 3-amino-6-bromo-
3-Amino-6-bromopyrazine-2-carboxylic acid
2-Amino-5-bromopyrazine-3-carboxylic acid

Work with 3-Amino-6-bromo-2-pyrazinecarboxylic acid

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

3-Amino-2-pyrazinecarboxylic acid5424-01-154 % similar 5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-943 % similar 4-Amino-1,2,5-oxadiazole-3-carboxylic acid78350-50-242 % similar 5-Bromo-3-fluoropicolinic acid669066-91-540 % similar 3-Aminopicolinic acid1462-86-839 % similar 2-Aminonicotinic acid5345-47-139 % similar Methyl 3,6-dibromopyrazine-2-carboxylate13301-04-739 % similar Aminopyralid150114-71-939 % similar

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

Same formula

3-Bromo-5-nitro-2-pyridinamine15862-31-4 5-Bromo-3-nitro-2-pyridinamine6945-68-2 6-Bromo-3-nitro-2-pyridinamine84487-04-7

Elsewhere

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