4-bromo-2-(2-chlorophenyl)pyrimidine

C10H6BrClN2 — CID 82305706

IUPAC4-bromo-2-(2-chlorophenyl)pyrimidine
SMILESClc1ccccc1-c1nccc(Br)n1
InChIInChI=1S/C10H6BrClN2/c11-9-5-6-13-10(14-9)7-3-1-2-4-8(7)12/h1-6H
InChIKeyICDRLVZOWMWWQD-UHFFFAOYSA-N
MW269.53 g/mol
LogP3.56
Rot. Bonds1

About 4-bromo-2-(2-chlorophenyl)pyrimidine

4-bromo-2-(2-chlorophenyl)pyrimidine (PubChem CID 82305706) has the molecular formula C10H6BrClN2 and a molecular weight of 269.53 g/mol. Its IUPAC name is 4-bromo-2-(2-chlorophenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-(2-chlorophenyl)pyrimidine
PubChem CID82305706
Molecular FormulaC10H6BrClN2
Molecular Weight269.53 g/mol
Exact Mass267.94
IUPAC Name4-bromo-2-(2-chlorophenyl)pyrimidine
SMILESClc1ccccc1-c1nccc(Br)n1
InChIInChI=1S/C10H6BrClN2/c11-9-5-6-13-10(14-9)7-3-1-2-4-8(7)12/h1-6H
InChIKeyICDRLVZOWMWWQD-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 4-bromo-2-(2-chlorophenyl)pyrimidine?
The IUPAC name of 4-bromo-2-(2-chlorophenyl)pyrimidine (CID 82305706) is 4-bromo-2-(2-chlorophenyl)pyrimidine.
What is the SMILES notation for 4-bromo-2-(2-chlorophenyl)pyrimidine?
The canonical SMILES for 4-bromo-2-(2-chlorophenyl)pyrimidine is Clc1ccccc1-c1nccc(Br)n1.
What is the InChIKey of 4-bromo-2-(2-chlorophenyl)pyrimidine?
The InChIKey is ICDRLVZOWMWWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2/c11-9-5-6-13-10(14-9)7-3-1-2-4-8(7)12/h1-6H.
What are the key properties of 4-bromo-2-(2-chlorophenyl)pyrimidine?
4-bromo-2-(2-chlorophenyl)pyrimidine 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 4-bromo-2-(2-chlorophenyl)pyrimidine is sourced from PubChem (CID 82305706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).