4-chloro-5-fluoro-6-phenoxypyrimidine

C10H6ClFN2O — CID 22613710

IUPAC4-chloro-5-fluoro-6-phenoxypyrimidine
SMILESFc1c(Cl)ncnc1Oc1ccccc1
InChIInChI=1S/C10H6ClFN2O/c11-9-8(12)10(14-6-13-9)15-7-4-2-1-3-5-7/h1-6H
InChIKeyRXOMLTAJUJYOKD-UHFFFAOYSA-N
MW224.62 g/mol
LogP3.06
Rot. Bonds2

About 4-chloro-5-fluoro-6-phenoxypyrimidine

4-chloro-5-fluoro-6-phenoxypyrimidine (PubChem CID 22613710) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-phenoxypyrimidine
PubChem CID22613710
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name4-chloro-5-fluoro-6-phenoxypyrimidine
SMILESFc1c(Cl)ncnc1Oc1ccccc1
InChIInChI=1S/C10H6ClFN2O/c11-9-8(12)10(14-6-13-9)15-7-4-2-1-3-5-7/h1-6H
InChIKeyRXOMLTAJUJYOKD-UHFFFAOYSA-N
XLogP3.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-phenoxypyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-phenoxypyrimidine (CID 22613710) is 4-chloro-5-fluoro-6-phenoxypyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-phenoxypyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-phenoxypyrimidine is Fc1c(Cl)ncnc1Oc1ccccc1.
What is the InChIKey of 4-chloro-5-fluoro-6-phenoxypyrimidine?
The InChIKey is RXOMLTAJUJYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-9-8(12)10(14-6-13-9)15-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-chloro-5-fluoro-6-phenoxypyrimidine?
4-chloro-5-fluoro-6-phenoxypyrimidine has a molecular weight of 224.62 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-phenoxypyrimidine is sourced from PubChem (CID 22613710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).