2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine

C12H10ClFN2O2 — CID 79081907

IUPAC2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
SMILESCCOc1ccc(Oc2nc(Cl)ncc2F)cc1
InChIInChI=1S/C12H10ClFN2O2/c1-2-17-8-3-5-9(6-4-8)18-11-10(14)7-15-12(13)16-11/h3-7H,2H2,1H3
InChIKeyYZQZATSUHKJNLO-UHFFFAOYSA-N
MW268.68 g/mol
LogP3.46
Rot. Bonds4

About 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine

2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine (PubChem CID 79081907) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
PubChem CID79081907
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
SMILESCCOc1ccc(Oc2nc(Cl)ncc2F)cc1
InChIInChI=1S/C12H10ClFN2O2/c1-2-17-8-3-5-9(6-4-8)18-11-10(14)7-15-12(13)16-11/h3-7H,2H2,1H3
InChIKeyYZQZATSUHKJNLO-UHFFFAOYSA-N
XLogP3.46
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine (CID 79081907) is 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine is CCOc1ccc(Oc2nc(Cl)ncc2F)cc1.
What is the InChIKey of 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine?
The InChIKey is YZQZATSUHKJNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-2-17-8-3-5-9(6-4-8)18-11-10(14)7-15-12(13)16-11/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine?
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine has a molecular weight of 268.68 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine is sourced from PubChem (CID 79081907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).