chempirical

Iodopyrazine

C4H3IN2CAS 32111-21-0205.99 g/mol

Open in Covalent MOL file
NNI
Aryl halide

Properties

Molecular formula
C4H3IN2
Molar mass
205.99 g/mol
Exact mass
205.9341 Da
logP
1.08Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
32111-21-0
SMILES
C1=CN=C(C=N1)I
InChIKey
OYWPFIUVDKHHGQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3IN2/c5-4-3-6-1-2-7-4/h1-3H

Weigh it out

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

Work with Iodopyrazine

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

Methylpyrazine109-08-042 % similar Chloropyrazine14508-49-742 % similar 2-Fluoropyrazine 984949-13-742 % similar 2-Iodopyridine5029-67-442 % similar Aminopyrazine5049-61-642 % similar 2-Bromopyrazine56423-63-342 % similar Pyrazin-2-yl-hydrazine54608-52-538 % similar 2-Bromo-5-iodopyrazine622392-04-538 % similar

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

Same formula

2-Iodopyrimidine31462-54-1 5-Iodopyrimidine31462-58-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook