5-(4-bromophenyl)-4,6-dichloropyrimidine

C10H5BrCl2N2 — CID 19735262

IUPAC5-(4-bromophenyl)-4,6-dichloropyrimidine
SMILESClc1ncnc(Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C10H5BrCl2N2/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H
InChIKeyWEEFLZORZXLIJE-UHFFFAOYSA-N
MW303.97 g/mol
LogP4.21
Rot. Bonds1

About 5-(4-bromophenyl)-4,6-dichloropyrimidine

5-(4-bromophenyl)-4,6-dichloropyrimidine (PubChem CID 19735262) has the molecular formula C10H5BrCl2N2 and a molecular weight of 303.97 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4,6-dichloropyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4,6-dichloropyrimidine
PubChem CID19735262
Molecular FormulaC10H5BrCl2N2
Molecular Weight303.97 g/mol
Exact Mass301.90
IUPAC Name5-(4-bromophenyl)-4,6-dichloropyrimidine
SMILESClc1ncnc(Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C10H5BrCl2N2/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H
InChIKeyWEEFLZORZXLIJE-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.97
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4,6-dichloropyrimidine?
The IUPAC name of 5-(4-bromophenyl)-4,6-dichloropyrimidine (CID 19735262) is 5-(4-bromophenyl)-4,6-dichloropyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-4,6-dichloropyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-4,6-dichloropyrimidine is Clc1ncnc(Cl)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-4,6-dichloropyrimidine?
The InChIKey is WEEFLZORZXLIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2N2/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H.
What are the key properties of 5-(4-bromophenyl)-4,6-dichloropyrimidine?
5-(4-bromophenyl)-4,6-dichloropyrimidine has a molecular weight of 303.97 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4,6-dichloropyrimidine is sourced from PubChem (CID 19735262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).