5-chloropyrimidine

C4H3ClN2 — CID 12600384

IUPAC5-chloropyrimidine
SMILESClc1cncnc1
InChIInChI=1S/C4H3ClN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKeyZLNPDTOTEVIMMY-UHFFFAOYSA-N
MW114.53 g/mol
LogP1.13
Rot. Bonds

About 5-chloropyrimidine

5-chloropyrimidine (PubChem CID 12600384) has the molecular formula C4H3ClN2 and a molecular weight of 114.53 g/mol. Its IUPAC name is 5-chloropyrimidine.

Molecular Properties

Compound Name5-chloropyrimidine
PubChem CID12600384
Molecular FormulaC4H3ClN2
Molecular Weight114.53 g/mol
Exact Mass114.00
IUPAC Name5-chloropyrimidine
SMILESClc1cncnc1
InChIInChI=1S/C4H3ClN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKeyZLNPDTOTEVIMMY-UHFFFAOYSA-N
XLogP1.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.53
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloropyrimidine?
The IUPAC name of 5-chloropyrimidine (CID 12600384) is 5-chloropyrimidine.
What is the SMILES notation for 5-chloropyrimidine?
The canonical SMILES for 5-chloropyrimidine is Clc1cncnc1.
What is the InChIKey of 5-chloropyrimidine?
The InChIKey is ZLNPDTOTEVIMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2/c5-4-1-6-3-7-2-4/h1-3H.
What are the key properties of 5-chloropyrimidine?
5-chloropyrimidine has a molecular weight of 114.53 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrimidine is sourced from PubChem (CID 12600384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).