2-(4-bromophenyl)-4-chloropyrimidine

C10H6BrClN2 — CID 13157538

IUPAC2-(4-bromophenyl)-4-chloropyrimidine
SMILESClc1ccnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H6BrClN2/c11-8-3-1-7(2-4-8)10-13-6-5-9(12)14-10/h1-6H
InChIKeyKBRDFIXSEIZKQG-UHFFFAOYSA-N
MW269.53 g/mol
LogP3.56
Rot. Bonds1

About 2-(4-bromophenyl)-4-chloropyrimidine

2-(4-bromophenyl)-4-chloropyrimidine (PubChem CID 13157538) has the molecular formula C10H6BrClN2 and a molecular weight of 269.53 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-chloropyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-chloropyrimidine
PubChem CID13157538
Molecular FormulaC10H6BrClN2
Molecular Weight269.53 g/mol
Exact Mass267.94
IUPAC Name2-(4-bromophenyl)-4-chloropyrimidine
SMILESClc1ccnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H6BrClN2/c11-8-3-1-7(2-4-8)10-13-6-5-9(12)14-10/h1-6H
InChIKeyKBRDFIXSEIZKQG-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-chloropyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-chloropyrimidine (CID 13157538) is 2-(4-bromophenyl)-4-chloropyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-chloropyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-chloropyrimidine is Clc1ccnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-chloropyrimidine?
The InChIKey is KBRDFIXSEIZKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2/c11-8-3-1-7(2-4-8)10-13-6-5-9(12)14-10/h1-6H.
What are the key properties of 2-(4-bromophenyl)-4-chloropyrimidine?
2-(4-bromophenyl)-4-chloropyrimidine has a molecular weight of 269.53 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-chloropyrimidine is sourced from PubChem (CID 13157538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).