4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine

C11H8ClFN2O2 — CID 18736656

IUPAC4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine
SMILESCOc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C11H8ClFN2O2/c1-16-10-9(13)11(15-6-14-10)17-8-5-3-2-4-7(8)12/h2-6H,1H3
InChIKeyXCBBIEBDRSJQNX-UHFFFAOYSA-N
MW254.65 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine

4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine (PubChem CID 18736656) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine
PubChem CID18736656
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine
SMILESCOc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C11H8ClFN2O2/c1-16-10-9(13)11(15-6-14-10)17-8-5-3-2-4-7(8)12/h2-6H,1H3
InChIKeyXCBBIEBDRSJQNX-UHFFFAOYSA-N
XLogP3.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine?
The IUPAC name of 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine (CID 18736656) is 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine?
The canonical SMILES for 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine is COc1ncnc(Oc2ccccc2Cl)c1F.
What is the InChIKey of 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine?
The InChIKey is XCBBIEBDRSJQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-16-10-9(13)11(15-6-14-10)17-8-5-3-2-4-7(8)12/h2-6H,1H3.
What are the key properties of 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine?
4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine has a molecular weight of 254.65 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-5-fluoro-6-methoxypyrimidine is sourced from PubChem (CID 18736656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).