2-chloro-5-fluoro-4-phenylmethoxypyrimidine

C11H8ClFN2O — CID 12864088

IUPAC2-chloro-5-fluoro-4-phenylmethoxypyrimidine
SMILESFc1cnc(Cl)nc1OCc1ccccc1
InChIInChI=1S/C11H8ClFN2O/c12-11-14-6-9(13)10(15-11)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyPUDYTJUESWMUAJ-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.85
Rot. Bonds3

About 2-chloro-5-fluoro-4-phenylmethoxypyrimidine

2-chloro-5-fluoro-4-phenylmethoxypyrimidine (PubChem CID 12864088) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-phenylmethoxypyrimidine
PubChem CID12864088
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name2-chloro-5-fluoro-4-phenylmethoxypyrimidine
SMILESFc1cnc(Cl)nc1OCc1ccccc1
InChIInChI=1S/C11H8ClFN2O/c12-11-14-6-9(13)10(15-11)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyPUDYTJUESWMUAJ-UHFFFAOYSA-N
XLogP2.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.85
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-phenylmethoxypyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-phenylmethoxypyrimidine (CID 12864088) is 2-chloro-5-fluoro-4-phenylmethoxypyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-phenylmethoxypyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-phenylmethoxypyrimidine is Fc1cnc(Cl)nc1OCc1ccccc1.
What is the InChIKey of 2-chloro-5-fluoro-4-phenylmethoxypyrimidine?
The InChIKey is PUDYTJUESWMUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-11-14-6-9(13)10(15-11)16-7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 2-chloro-5-fluoro-4-phenylmethoxypyrimidine?
2-chloro-5-fluoro-4-phenylmethoxypyrimidine has a molecular weight of 238.65 g/mol, XLogP of 2.85, 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-phenylmethoxypyrimidine is sourced from PubChem (CID 12864088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).