5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine

C20H26FNO — CID 21286166

IUPAC5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
SMILESCCCCCOc1ccc(-c2ccc(CCCC)cn2)cc1F
InChIInChI=1S/C20H26FNO/c1-3-5-7-13-23-20-12-10-17(14-18(20)21)19-11-9-16(15-22-19)8-6-4-2/h9-12,14-15H,3-8,13H2,1-2H3
InChIKeyBDWHABMURCUKQM-UHFFFAOYSA-N
MW315.43 g/mol
LogP5.80
Rot. Bonds9

About 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine

5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine (PubChem CID 21286166) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine.

Molecular Properties

Compound Name5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
PubChem CID21286166
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
SMILESCCCCCOc1ccc(-c2ccc(CCCC)cn2)cc1F
InChIInChI=1S/C20H26FNO/c1-3-5-7-13-23-20-12-10-17(14-18(20)21)19-11-9-16(15-22-19)8-6-4-2/h9-12,14-15H,3-8,13H2,1-2H3
InChIKeyBDWHABMURCUKQM-UHFFFAOYSA-N
XLogP5.80
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 ≤ 55.80
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-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine
CID 21286193
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894
2-(3-chloro-4-pentoxyphenyl)-5-pentylpyridine
CID 21286197
5-[2-(5-dodecyl-1,3-dioxan-2-yl)ethyl]-2-(3-fluoro-4-octoxyphenyl)pyridine
CID 19821332
2-butyl-5-(3-fluoro-4-heptoxyphenyl)pyrazine
CID 139625361
2-(3-fluoro-4-hexoxyphenyl)-5-pentylpyrimidine
CID 21270951
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-(3-fluoro-4-heptoxyphenyl)-5-pentylpyrazine
CID 139625420

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine?
The IUPAC name of 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine (CID 21286166) is 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine.
What is the SMILES notation for 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine?
The canonical SMILES for 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine is CCCCCOc1ccc(-c2ccc(CCCC)cn2)cc1F.
What is the InChIKey of 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine?
The InChIKey is BDWHABMURCUKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-3-5-7-13-23-20-12-10-17(14-18(20)21)19-11-9-16(15-22-19)8-6-4-2/h9-12,14-15H,3-8,13H2,1-2H3.
What are the key properties of 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine?
5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine has a molecular weight of 315.43 g/mol, XLogP of 5.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine is sourced from PubChem (CID 21286166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).