2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine

C16H10ClFN2O — CID 79081506

IUPAC2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
SMILESFc1cnc(Cl)nc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H10ClFN2O/c17-16-19-10-14(18)15(20-16)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H
InChIKeyFRISUPXJSSFIOR-UHFFFAOYSA-N
MW300.72 g/mol
LogP4.73
Rot. Bonds3

About 2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine

2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine (PubChem CID 79081506) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
PubChem CID79081506
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
SMILESFc1cnc(Cl)nc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H10ClFN2O/c17-16-19-10-14(18)15(20-16)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H
InChIKeyFRISUPXJSSFIOR-UHFFFAOYSA-N
XLogP4.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 54.73
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-(4-phenylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine (CID 79081506) is 2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine is Fc1cnc(Cl)nc1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine?
The InChIKey is FRISUPXJSSFIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-16-19-10-14(18)15(20-16)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine?
2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine has a molecular weight of 300.72 g/mol, XLogP of 4.73, 3 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-(4-phenylphenoxy)pyrimidine is sourced from PubChem (CID 79081506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).