4-chloro-2-(4-chlorophenoxy)pyrimidine

C10H6Cl2N2O — CID 22675151

IUPAC4-chloro-2-(4-chlorophenoxy)pyrimidine
SMILESClc1ccc(Oc2nccc(Cl)n2)cc1
InChIInChI=1S/C10H6Cl2N2O/c11-7-1-3-8(4-2-7)15-10-13-6-5-9(12)14-10/h1-6H
InChIKeyFCXGHIHFAQDEEY-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.58
Rot. Bonds2

About 4-chloro-2-(4-chlorophenoxy)pyrimidine

4-chloro-2-(4-chlorophenoxy)pyrimidine (PubChem CID 22675151) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenoxy)pyrimidine
PubChem CID22675151
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name4-chloro-2-(4-chlorophenoxy)pyrimidine
SMILESClc1ccc(Oc2nccc(Cl)n2)cc1
InChIInChI=1S/C10H6Cl2N2O/c11-7-1-3-8(4-2-7)15-10-13-6-5-9(12)14-10/h1-6H
InChIKeyFCXGHIHFAQDEEY-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorophenoxy)pyrimidine (CID 22675151) is 4-chloro-2-(4-chlorophenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorophenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorophenoxy)pyrimidine is Clc1ccc(Oc2nccc(Cl)n2)cc1.
What is the InChIKey of 4-chloro-2-(4-chlorophenoxy)pyrimidine?
The InChIKey is FCXGHIHFAQDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-7-1-3-8(4-2-7)15-10-13-6-5-9(12)14-10/h1-6H.
What are the key properties of 4-chloro-2-(4-chlorophenoxy)pyrimidine?
4-chloro-2-(4-chlorophenoxy)pyrimidine has a molecular weight of 241.08 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenoxy)pyrimidine is sourced from PubChem (CID 22675151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).