4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine

C10H4BrCl3N2 — CID 82781517

IUPAC4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine
SMILESClc1cc(-c2ccc(Br)cc2Cl)nc(Cl)n1
InChIInChI=1S/C10H4BrCl3N2/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H
InChIKeyLGXLUWNKIMWYGZ-UHFFFAOYSA-N
MW338.42 g/mol
LogP4.87
Rot. Bonds1

About 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine

4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine (PubChem CID 82781517) has the molecular formula C10H4BrCl3N2 and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine
PubChem CID82781517
Molecular FormulaC10H4BrCl3N2
Molecular Weight338.42 g/mol
Exact Mass335.86
IUPAC Name4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine
SMILESClc1cc(-c2ccc(Br)cc2Cl)nc(Cl)n1
InChIInChI=1S/C10H4BrCl3N2/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H
InChIKeyLGXLUWNKIMWYGZ-UHFFFAOYSA-N
XLogP4.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine?
The IUPAC name of 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine (CID 82781517) is 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine?
The canonical SMILES for 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine is Clc1cc(-c2ccc(Br)cc2Cl)nc(Cl)n1.
What is the InChIKey of 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine?
The InChIKey is LGXLUWNKIMWYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl3N2/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H.
What are the key properties of 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine?
4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine has a molecular weight of 338.42 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenyl)-2,6-dichloropyrimidine is sourced from PubChem (CID 82781517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).