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Molecule record

4-chloropyrimidine

C4H3ClN2

114.53 g/mol

Loading structure

Molecular properties

Formula
C4H3ClN2
Molar mass
114.53 g·mol−1
Exact mass
113.9985 Da
4
PubChem CID
642834

Functional groups

Aromatic ring
Aryl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 17180-93-7
  • 4-Chloro-pyrimidine
  • 4-Chloropyrimidine (as HCl salt)
  • 4-chloropyrimidine, AldrichCPR
  • 6-chloropyrimidine
  • 845-733-4
  • AKOS010502630
  • BDBM50622799
Show all 24 synonyms
  • CHEMBL5440641
  • DBPKMSBWOKAKLA-UHFFFAOYSA-N
  • DTXCID80300151
  • DTXSID70349079
  • GD3LF7TVB2
  • InChI=1/C4H3ClN2/c5-4-1-2-6-3-7-4/h1-3
  • MFCD08234613
  • RefChem:98619
  • SBB054514
  • SCHEMBL10342718
  • SCHEMBL29461245
  • SCHEMBL357611
  • SCHEMBL447501
  • SCHEMBL449433
  • SCHEMBL86861
  • pyrimidine, 4-chloro-

Structure identifiers

Canonical SMILES
Clc1ccncn1
Isomeric SMILES
C1=CN=CN=C1Cl
InChI
InChI=1S/C4H3ClN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKey
DBPKMSBWOKAKLA-UHFFFAOYSA-N
PubChem CID
642834

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-chloropyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-chloropyrimidine; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record