6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine

C20H26FNO — CID 23179569

IUPAC6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine
SMILESCCCCCc1ccc(CCc2ccc(OCC)nc2F)cc1
InChIInChI=1S/C20H26FNO/c1-3-5-6-7-16-8-10-17(11-9-16)12-13-18-14-15-19(23-4-2)22-20(18)21/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyZUCFACTVFGNPQO-UHFFFAOYSA-N
MW315.43 g/mol
LogP5.14
Rot. Bonds9

About 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine

6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine (PubChem CID 23179569) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine
PubChem CID23179569
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine
SMILESCCCCCc1ccc(CCc2ccc(OCC)nc2F)cc1
InChIInChI=1S/C20H26FNO/c1-3-5-6-7-16-8-10-17(11-9-16)12-13-18-14-15-19(23-4-2)22-20(18)21/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyZUCFACTVFGNPQO-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-heptyl-6-[4-(4-heptylphenyl)phenyl]pyridine
CID 91063743
3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
CID 91526476
2,6-difluoro-3-[2-(4-propylphenyl)ethyl]pyridine
CID 19765340
2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine
CID 19765751
4-butoxy-1-[2-[4-[2-(4-butoxy-2-fluorophenyl)ethyl]phenyl]ethyl]-2-fluorobenzene
CID 19008316
triethoxy-(4-hexylphenyl)silane
CID 146005025
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
1-butyl-4-nonylbenzene
CID 59545302
4-fluoro-5-(4-nonylphenyl)-2-(4-pentylphenyl)pyrimidine
CID 70492698
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
6-pentylphthalazine
CID 21134765
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine?
The IUPAC name of 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine (CID 23179569) is 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine.
What is the SMILES notation for 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine?
The canonical SMILES for 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine is CCCCCc1ccc(CCc2ccc(OCC)nc2F)cc1.
What is the InChIKey of 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine?
The InChIKey is ZUCFACTVFGNPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-3-5-6-7-16-8-10-17(11-9-16)12-13-18-14-15-19(23-4-2)22-20(18)21/h8-11,14-15H,3-7,12-13H2,1-2H3.
What are the key properties of 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine?
6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine has a molecular weight of 315.43 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-fluoro-3-[2-(4-pentylphenyl)ethyl]pyridine is sourced from PubChem (CID 23179569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).