4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine

C6H4BrCl2FN2 — CID 87603852

IUPAC4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine
SMILESFc1c(Cl)nc(Cl)nc1CCBr
InChIInChI=1S/C6H4BrCl2FN2/c7-2-1-3-4(10)5(8)12-6(9)11-3/h1-2H2
InChIKeyOFCVBBVWBTVKLP-UHFFFAOYSA-N
MW273.92 g/mol
LogP2.86
Rot. Bonds2

About 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine

4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine (PubChem CID 87603852) has the molecular formula C6H4BrCl2FN2 and a molecular weight of 273.92 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine
PubChem CID87603852
Molecular FormulaC6H4BrCl2FN2
Molecular Weight273.92 g/mol
Exact Mass271.89
IUPAC Name4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine
SMILESFc1c(Cl)nc(Cl)nc1CCBr
InChIInChI=1S/C6H4BrCl2FN2/c7-2-1-3-4(10)5(8)12-6(9)11-3/h1-2H2
InChIKeyOFCVBBVWBTVKLP-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.92
LogP ≤ 52.86
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)-2,6-dichloro-5-fluoropyrimidine?
The IUPAC name of 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine (CID 87603852) is 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine.
What is the SMILES notation for 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine?
The canonical SMILES for 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine is Fc1c(Cl)nc(Cl)nc1CCBr.
What is the InChIKey of 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine?
The InChIKey is OFCVBBVWBTVKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl2FN2/c7-2-1-3-4(10)5(8)12-6(9)11-3/h1-2H2.
What are the key properties of 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine?
4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine has a molecular weight of 273.92 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2,6-dichloro-5-fluoropyrimidine is sourced from PubChem (CID 87603852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).