5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine

C31H48FNO — CID 21286193

IUPAC5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(-c2ccc(CC)cn2)cc1F
InChIInChI=1S/C31H48FNO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-31-23-21-28(25-29(31)32)30-22-20-27(4-2)26-33-30/h20-23,25-26H,3-19,24H2,1-2H3
InChIKeyWYPAWMKPHMTNBC-UHFFFAOYSA-N
MW469.73 g/mol
LogP10.09
Rot. Bonds20

About 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine

5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine (PubChem CID 21286193) has the molecular formula C31H48FNO and a molecular weight of 469.73 g/mol. Its IUPAC name is 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine.

Molecular Properties

Compound Name5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine
PubChem CID21286193
Molecular FormulaC31H48FNO
Molecular Weight469.73 g/mol
Exact Mass469.37
IUPAC Name5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(-c2ccc(CC)cn2)cc1F
InChIInChI=1S/C31H48FNO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-31-23-21-28(25-29(31)32)30-22-20-27(4-2)26-33-30/h20-23,25-26H,3-19,24H2,1-2H3
InChIKeyWYPAWMKPHMTNBC-UHFFFAOYSA-N
XLogP10.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.73
LogP ≤ 510.09
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-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
CID 21286166
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
5-[2-(5-dodecyl-1,3-dioxan-2-yl)ethyl]-2-(3-fluoro-4-octoxyphenyl)pyridine
CID 19821332
2-(3-fluoro-4-heptoxyphenyl)-5-pentylpyrazine
CID 139625420
2-butyl-5-(3-fluoro-4-heptoxyphenyl)pyrazine
CID 139625361
2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine
CID 139625367
2-(3-fluoro-4-hexoxyphenyl)-5-pentylpyrimidine
CID 21270951
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-(4-butoxy-3-fluorophenyl)-5-undecylpyrazine
CID 139625410

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine?
The IUPAC name of 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine (CID 21286193) is 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine.
What is the SMILES notation for 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine?
The canonical SMILES for 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine is CCCCCCCCCCCCCCCCCCOc1ccc(-c2ccc(CC)cn2)cc1F.
What is the InChIKey of 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine?
The InChIKey is WYPAWMKPHMTNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48FNO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-34-31-23-21-28(25-29(31)32)30-22-20-27(4-2)26-33-30/h20-23,25-26H,3-19,24H2,1-2H3.
What are the key properties of 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine?
5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine has a molecular weight of 469.73 g/mol, XLogP of 10.09, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine is sourced from PubChem (CID 21286193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).