2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine

C10H4BrCl3N2 — CID 115565759

IUPAC2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
SMILESClc1cc(Cl)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C10H4BrCl3N2/c11-6-3-5(1-2-7(6)12)10-15-8(13)4-9(14)16-10/h1-4H
InChIKeyYSKYDQNJUZLYIR-UHFFFAOYSA-N
MW338.42 g/mol
LogP4.87
Rot. Bonds1

About 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine

2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine (PubChem CID 115565759) has the molecular formula C10H4BrCl3N2 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
PubChem CID115565759
Molecular FormulaC10H4BrCl3N2
Molecular Weight338.42 g/mol
Exact Mass335.86
IUPAC Name2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
SMILESClc1cc(Cl)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C10H4BrCl3N2/c11-6-3-5(1-2-7(6)12)10-15-8(13)4-9(14)16-10/h1-4H
InChIKeyYSKYDQNJUZLYIR-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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Related Compounds

2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 113337351
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 113337298
4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 115568668
3-(3-bromo-4-chlorophenyl)-5-ethenyl-1,2,4-oxadiazole
CID 115565464
3-(3-bromo-4-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 107989217
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034
3-(3-bromo-4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole
CID 107989225
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine (CID 115565759) is 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine is Clc1cc(Cl)nc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine?
The InChIKey is YSKYDQNJUZLYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl3N2/c11-6-3-5(1-2-7(6)12)10-15-8(13)4-9(14)16-10/h1-4H.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine?
2-(3-bromo-4-chlorophenyl)-4,6-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 2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine is sourced from PubChem (CID 115565759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).