2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine

C22H30FNO — CID 19101199

IUPAC2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(CCC)cn2)c(F)c1
InChIInChI=1S/C22H30FNO/c1-3-5-6-7-8-9-15-25-19-12-13-20(21(23)16-19)22-14-11-18(10-4-2)17-24-22/h11-14,16-17H,3-10,15H2,1-2H3
InChIKeyYZCADGVYSJCKBX-UHFFFAOYSA-N
MW343.49 g/mol
LogP6.58
Rot. Bonds11

About 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine

2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine (PubChem CID 19101199) has the molecular formula C22H30FNO and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
PubChem CID19101199
Molecular FormulaC22H30FNO
Molecular Weight343.49 g/mol
Exact Mass343.23
IUPAC Name2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(CCC)cn2)c(F)c1
InChIInChI=1S/C22H30FNO/c1-3-5-6-7-8-9-15-25-19-12-13-20(21(23)16-19)22-14-11-18(10-4-2)17-24-22/h11-14,16-17H,3-10,15H2,1-2H3
InChIKeyYZCADGVYSJCKBX-UHFFFAOYSA-N
XLogP6.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-hexoxyphenyl)-5-propylpyridine
CID 19101298
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
CID 19859168
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-pentylpyridine
CID 19859496
2-(2-fluoro-4-octoxyphenyl)-5-methylpyridine
CID 19768408
2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]-5-pentylpyridine;2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-hexylpyridine
CID 158808358
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339
2-(2-fluoro-4-pentoxyphenyl)-5-methylpyridine
CID 19101340
2-(2-fluoro-4-hexylphenyl)-5-(4-nonoxyphenyl)pyridine
CID 19859636
2-(2-fluoro-4-octylphenyl)-5-(4-octoxyphenyl)pyridine
CID 19859795

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine?
The IUPAC name of 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine (CID 19101199) is 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine.
What is the SMILES notation for 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine?
The canonical SMILES for 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine is CCCCCCCCOc1ccc(-c2ccc(CCC)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine?
The InChIKey is YZCADGVYSJCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO/c1-3-5-6-7-8-9-15-25-19-12-13-20(21(23)16-19)22-14-11-18(10-4-2)17-24-22/h11-14,16-17H,3-10,15H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine?
2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine has a molecular weight of 343.49 g/mol, XLogP of 6.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine is sourced from PubChem (CID 19101199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).