5-bromo-2-chloropyrimidine

C4H2BrClN2 — CID 606665

IUPAC5-bromo-2-chloropyrimidine
SMILESClc1ncc(Br)cn1
InChIInChI=1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKeyXPGIBDJXEVAVTO-UHFFFAOYSA-N
MW193.43 g/mol
LogP1.89
Rot. Bonds

About 5-bromo-2-chloropyrimidine

5-bromo-2-chloropyrimidine (PubChem CID 606665) has the molecular formula C4H2BrClN2 and a molecular weight of 193.43 g/mol. Its IUPAC name is 5-bromo-2-chloropyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloropyrimidine
PubChem CID606665
Molecular FormulaC4H2BrClN2
Molecular Weight193.43 g/mol
Exact Mass191.91
IUPAC Name5-bromo-2-chloropyrimidine
SMILESClc1ncc(Br)cn1
InChIInChI=1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKeyXPGIBDJXEVAVTO-UHFFFAOYSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyrimidine?
The IUPAC name of 5-bromo-2-chloropyrimidine (CID 606665) is 5-bromo-2-chloropyrimidine.
What is the SMILES notation for 5-bromo-2-chloropyrimidine?
The canonical SMILES for 5-bromo-2-chloropyrimidine is Clc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-chloropyrimidine?
The InChIKey is XPGIBDJXEVAVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H.
What are the key properties of 5-bromo-2-chloropyrimidine?
5-bromo-2-chloropyrimidine has a molecular weight of 193.43 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyrimidine is sourced from PubChem (CID 606665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).