2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine

C11H7Cl2FN2O — CID 62477266

IUPAC2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2ccc(F)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H7Cl2FN2O/c1-6-4-10(16-11(13)15-6)17-9-3-2-7(14)5-8(9)12/h2-5H,1H3
InChIKeyWGDHWBFPMUCOLX-UHFFFAOYSA-N
MW273.09 g/mol
LogP4.02
Rot. Bonds2

About 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine

2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine (PubChem CID 62477266) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine
PubChem CID62477266
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2ccc(F)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H7Cl2FN2O/c1-6-4-10(16-11(13)15-6)17-9-3-2-7(14)5-8(9)12/h2-5H,1H3
InChIKeyWGDHWBFPMUCOLX-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine (CID 62477266) is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine is Cc1cc(Oc2ccc(F)cc2Cl)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine?
The InChIKey is WGDHWBFPMUCOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c1-6-4-10(16-11(13)15-6)17-9-3-2-7(14)5-8(9)12/h2-5H,1H3.
What are the key properties of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine?
2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine has a molecular weight of 273.09 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methylpyrimidine is sourced from PubChem (CID 62477266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).