Methyl 3,6-dibromopyrazine-2-carboxylate

C6H4Br2N2O2CAS 13301-04-7295.92 g/mol

Open in Covalent MOL file
OONNBrBr
Aryl halideEster

Properties

Molecular formula
C6H4Br2N2O2
Molar mass
295.92 g/mol
Exact mass
293.8640 Da
logP
1.79Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
13301-04-7
SMILES
COC(=O)C1=NC(=CN=C1Br)Br
InChIKey
OHKYQPNNVGHVOT-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Br2N2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3

Weigh it out

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

Work with Methyl 3,6-dibromopyrazine-2-carboxylate

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

Methyl 3-amino-6-bromopyrazine-2-carboxylate6966-01-468 % similar Methyl 3-bromopyrazine-2-carboxylate51171-02-961 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-050 % similar Methyl 5-bromo-3-methylpicolinate213771-32-547 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-746 % similar Methyl 5-bromothiazole-4-carboxylate913836-22-346 % similar Methyl 5-bromopyrimidine-2-carboxylate89581-38-446 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dibromo-6-nitroaniline827-23-6 2,6-Dibromo-4-nitroaniline827-94-1

Elsewhere

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