chempirical

Methyl 3-amino-6-chloropyrazine-2-carboxylate

C6H6ClN3O2CAS 1458-03-3187.58 g/mol

Open in Covalent MOL file
OONNH2NCl
Aryl halideEsterPrimary amine

Properties

Molecular formula
C6H6ClN3O2
Molar mass
187.58 g/mol
Exact mass
187.0149 Da
logP
0.50Crippen estimate
Polar surface area
78.1 Ų
H-bond donors / acceptors
1 / 5
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
1458-03-3
SMILES
COC(=O)C1=NC(=CN=C1N)Cl
InChIKey
JGAJCAJHSHUPGH-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)

Weigh it out

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

Work with Methyl 3-amino-6-chloropyrazine-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-carboxylate6966-01-465 % similar Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-061 % similar Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate1458-01-159 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-658 % similar 3-Amino-6-chloropyrazine-2-carboxylic acid2727-13-157 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-254 % similar Methyl 5-chloropyrazine-2-carboxylate33332-25-153 % similar Methyl 6-chloropyrazine-2-carboxylate23611-75-851 % similar

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

Same formula

2-Chloro-5-nitro-1,4-benzenediamine26196-45-2

Elsewhere

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