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

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-6-chloropyrazine-2-carboxylic acid2727-13-162 % similar Methyl 3-amino-6-bromopyrazine-2-carboxylate6966-01-457 % similar 3-Amino-2-pyrazinecarboxylic acid5424-01-154 % similar 5-Bromopyrazine-2,3-diamine89123-58-052 % similar 2-Amino-5-bromonicotinic acid52833-94-050 % similar 5-Bromo-2-pyrazinecarboxylic acid876161-05-649 % similar 2-Amino-3,5-dibromopyrazine24241-18-749 % similar 3-Amino-5-bromopyridine-2-carboxylic acid870997-85-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-5-nitro-2-pyridinamine15862-31-4 6-Bromo-3-hydroxypyrazine-2-carboxamide259793-88-9 5-Bromo-3-nitro-2-pyridinamine6945-68-2 6-Bromo-3-nitro-2-pyridinamine84487-04-7 4-Amino-3-bromo-5-nitropyridine89284-05-9

Elsewhere

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