5-Bromo-2(1H)-pyrazinone

C₄H₃BrN₂OCAS 374063-92-0174.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₃BrN₂O
Molar mass: 174.99 g/mol
Exact mass: 173.9429 Da
Melting point: 115–116 °C
logP: 0.53Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed95.3% of notifiers
H318 Causes serious eye damage93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

374063-92-0

SMILES

O=c1cnc(Br)c[nH]1

InChIKey

ITTXBHQAWOFJAI-UHFFFAOYSA-N

InChI

InChI=1S/C4H3BrN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)

Weigh it out

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

Names and synonyms

4 names

2(1H)-Pyrazinone, 5-bromo-
5-Bromopyrazin-2-ol
5-Bromopyrazin-2(1H)-one
2-Bromo-5-hydroxypyrazine

Work with 5-Bromo-2(1H)-pyrazinone

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-Hydroxypyrazine-2-carboxylic acid34604-60-944 % similar 2,5-Dibromopyrazine23229-26-742 % similar 1,2-Dihydropyrazin-2-one6270-63-937 % similar 5-Bromo-2-hydroxy-4-methylpyridine164513-38-635 % similar 6-Bromo-1,2,4-triazin-3-amine69249-22-534 % similar 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-834 % similar 6-Bromo-3-hydroxypyrazine-2-carboxamide259793-88-934 % similar 6-Bromo-1,2-dihydroquinoxalin-2-one55687-34-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromopyrimidin-5-ol1240621-87-7 5-Bromo-4(3H)-pyrimidinone19808-30-1 5-Bromo-2(1H)-pyrimidinone214290-49-0 5-Bromo-2(1H)-pyrimidinone38353-06-9

Elsewhere

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