2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine

C12H9ClF2N2O — CID 88532355

IUPAC2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine
SMILESFc1ccc(CCOc2nc(Cl)ncc2F)cc1
InChIInChI=1S/C12H9ClF2N2O/c13-12-16-7-10(15)11(17-12)18-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6H2
InChIKeyXCSRETFSOCFVLB-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.03
Rot. Bonds4

About 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine

2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine (PubChem CID 88532355) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine
PubChem CID88532355
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine
SMILESFc1ccc(CCOc2nc(Cl)ncc2F)cc1
InChIInChI=1S/C12H9ClF2N2O/c13-12-16-7-10(15)11(17-12)18-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6H2
InChIKeyXCSRETFSOCFVLB-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine (CID 88532355) is 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine is Fc1ccc(CCOc2nc(Cl)ncc2F)cc1.
What is the InChIKey of 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine?
The InChIKey is XCSRETFSOCFVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c13-12-16-7-10(15)11(17-12)18-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6H2.
What are the key properties of 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine?
2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine has a molecular weight of 270.67 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine is sourced from PubChem (CID 88532355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).