2-Chloropyrimidine-4-carboxamide

C₅H₄ClN₃OCAS 22536-66-9157.56 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₅H₄ClN₃O
Molar mass: 157.56 g/mol
Exact mass: 157.0043 Da
logP: 0.23Crippen estimate
Polar surface area: 68.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

22536-66-9

SMILES

C1=CN=C(N=C1C(=O)N)Cl

InChIKey

UXXQEVFRPLIOHJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClN3O/c6-5-8-2-1-3(9-5)4(7)10/h1-2H,(H2,7,10)

Weigh it out

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

Work with 2-Chloropyrimidine-4-carboxamide

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

2-Chloropyrimidine-4-carboxylic acid149849-92-358 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-553 % similar 2-Chloroisonicotinamide100859-84-549 % similar 6-Bromo-2-pyridinecarboxamide25194-52-949 % similar 5-Chloropyridine-2-carboxamide370104-72-649 % similar 4-Amino-2-chloropyrimidine7461-50-944 % similar 2,4-Dichloropyrimidine3934-20-142 % similar 2-Aminoisonicotinamide13538-42-642 % similar

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

Same formula

4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook