2-(2,6-dibromo-4-chlorophenyl)pyrimidine

C10H5Br2ClN2 — CID 102262154

IUPAC2-(2,6-dibromo-4-chlorophenyl)pyrimidine
SMILESClc1cc(Br)c(-c2ncccn2)c(Br)c1
InChIInChI=1S/C10H5Br2ClN2/c11-7-4-6(13)5-8(12)9(7)10-14-2-1-3-15-10/h1-5H
InChIKeyOVRPHRWFHDAAEF-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.32
Rot. Bonds1

About 2-(2,6-dibromo-4-chlorophenyl)pyrimidine

2-(2,6-dibromo-4-chlorophenyl)pyrimidine (PubChem CID 102262154) has the molecular formula C10H5Br2ClN2 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-chlorophenyl)pyrimidine.

Molecular Properties

Compound Name2-(2,6-dibromo-4-chlorophenyl)pyrimidine
PubChem CID102262154
Molecular FormulaC10H5Br2ClN2
Molecular Weight348.43 g/mol
Exact Mass345.85
IUPAC Name2-(2,6-dibromo-4-chlorophenyl)pyrimidine
SMILESClc1cc(Br)c(-c2ncccn2)c(Br)c1
InChIInChI=1S/C10H5Br2ClN2/c11-7-4-6(13)5-8(12)9(7)10-14-2-1-3-15-10/h1-5H
InChIKeyOVRPHRWFHDAAEF-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-chlorophenyl)pyrimidine?
The IUPAC name of 2-(2,6-dibromo-4-chlorophenyl)pyrimidine (CID 102262154) is 2-(2,6-dibromo-4-chlorophenyl)pyrimidine.
What is the SMILES notation for 2-(2,6-dibromo-4-chlorophenyl)pyrimidine?
The canonical SMILES for 2-(2,6-dibromo-4-chlorophenyl)pyrimidine is Clc1cc(Br)c(-c2ncccn2)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-chlorophenyl)pyrimidine?
The InChIKey is OVRPHRWFHDAAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2ClN2/c11-7-4-6(13)5-8(12)9(7)10-14-2-1-3-15-10/h1-5H.
What are the key properties of 2-(2,6-dibromo-4-chlorophenyl)pyrimidine?
2-(2,6-dibromo-4-chlorophenyl)pyrimidine has a molecular weight of 348.43 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-chlorophenyl)pyrimidine is sourced from PubChem (CID 102262154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).