3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine

C21H19F2NO2 — CID 163761672

IUPAC3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine
SMILESCCCOc1cnc(COc2ccc(F)c(-c3ccccc3)c2)c(F)c1
InChIInChI=1S/C21H19F2NO2/c1-2-10-25-17-12-20(23)21(24-13-17)14-26-16-8-9-19(22)18(11-16)15-6-4-3-5-7-15/h3-9,11-13H,2,10,14H2,1H3
InChIKeyLYRSDPHOPVYYSS-UHFFFAOYSA-N
MW355.38 g/mol
LogP5.39
Rot. Bonds7

About 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine

3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine (PubChem CID 163761672) has the molecular formula C21H19F2NO2 and a molecular weight of 355.38 g/mol. Its IUPAC name is 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine.

Molecular Properties

Compound Name3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine
PubChem CID163761672
Molecular FormulaC21H19F2NO2
Molecular Weight355.38 g/mol
Exact Mass355.14
IUPAC Name3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine
SMILESCCCOc1cnc(COc2ccc(F)c(-c3ccccc3)c2)c(F)c1
InChIInChI=1S/C21H19F2NO2/c1-2-10-25-17-12-20(23)21(24-13-17)14-26-16-8-9-19(22)18(11-16)15-6-4-3-5-7-15/h3-9,11-13H,2,10,14H2,1H3
InChIKeyLYRSDPHOPVYYSS-UHFFFAOYSA-N
XLogP5.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.38
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine?
The IUPAC name of 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine (CID 163761672) is 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine.
What is the SMILES notation for 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine?
The canonical SMILES for 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine is CCCOc1cnc(COc2ccc(F)c(-c3ccccc3)c2)c(F)c1.
What is the InChIKey of 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine?
The InChIKey is LYRSDPHOPVYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2/c1-2-10-25-17-12-20(23)21(24-13-17)14-26-16-8-9-19(22)18(11-16)15-6-4-3-5-7-15/h3-9,11-13H,2,10,14H2,1H3.
What are the key properties of 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine?
3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine has a molecular weight of 355.38 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-fluoro-3-phenylphenoxy)methyl]-5-propoxypyridine is sourced from PubChem (CID 163761672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).