4-(2-bromoethyl)-2-chloropyrimidine

C6H6BrClN2 — CID 174481493

IUPAC4-(2-bromoethyl)-2-chloropyrimidine
SMILESClc1nccc(CCBr)n1
InChIInChI=1S/C6H6BrClN2/c7-3-1-5-2-4-9-6(8)10-5/h2,4H,1,3H2
InChIKeyQFOJFYFRCLAPSV-UHFFFAOYSA-N
MW221.48 g/mol
LogP2.07
Rot. Bonds2

About 4-(2-bromoethyl)-2-chloropyrimidine

4-(2-bromoethyl)-2-chloropyrimidine (PubChem CID 174481493) has the molecular formula C6H6BrClN2 and a molecular weight of 221.48 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2-chloropyrimidine.

Molecular Properties

Compound Name4-(2-bromoethyl)-2-chloropyrimidine
PubChem CID174481493
Molecular FormulaC6H6BrClN2
Molecular Weight221.48 g/mol
Exact Mass219.94
IUPAC Name4-(2-bromoethyl)-2-chloropyrimidine
SMILESClc1nccc(CCBr)n1
InChIInChI=1S/C6H6BrClN2/c7-3-1-5-2-4-9-6(8)10-5/h2,4H,1,3H2
InChIKeyQFOJFYFRCLAPSV-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-2-chloropyrimidine?
The IUPAC name of 4-(2-bromoethyl)-2-chloropyrimidine (CID 174481493) is 4-(2-bromoethyl)-2-chloropyrimidine.
What is the SMILES notation for 4-(2-bromoethyl)-2-chloropyrimidine?
The canonical SMILES for 4-(2-bromoethyl)-2-chloropyrimidine is Clc1nccc(CCBr)n1.
What is the InChIKey of 4-(2-bromoethyl)-2-chloropyrimidine?
The InChIKey is QFOJFYFRCLAPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2/c7-3-1-5-2-4-9-6(8)10-5/h2,4H,1,3H2.
What are the key properties of 4-(2-bromoethyl)-2-chloropyrimidine?
4-(2-bromoethyl)-2-chloropyrimidine has a molecular weight of 221.48 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2-chloropyrimidine is sourced from PubChem (CID 174481493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).