2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine

C11H8ClFN2O2 — CID 166799666

IUPAC2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine
SMILESCOc1cc(Oc2ccnc(Cl)n2)ccc1F
InChIInChI=1S/C11H8ClFN2O2/c1-16-9-6-7(2-3-8(9)13)17-10-4-5-14-11(12)15-10/h2-6H,1H3
InChIKeyNSPCXMNPXTYHNX-UHFFFAOYSA-N
MW254.65 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine

2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine (PubChem CID 166799666) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine
PubChem CID166799666
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine
SMILESCOc1cc(Oc2ccnc(Cl)n2)ccc1F
InChIInChI=1S/C11H8ClFN2O2/c1-16-9-6-7(2-3-8(9)13)17-10-4-5-14-11(12)15-10/h2-6H,1H3
InChIKeyNSPCXMNPXTYHNX-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 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine (CID 166799666) is 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine is COc1cc(Oc2ccnc(Cl)n2)ccc1F.
What is the InChIKey of 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine?
The InChIKey is NSPCXMNPXTYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-16-9-6-7(2-3-8(9)13)17-10-4-5-14-11(12)15-10/h2-6H,1H3.
What are the key properties of 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine?
2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine 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 2-chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 166799666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).