5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine

C27H40FNO2 — CID 139772001

IUPAC5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
SMILESCCCCCCCCC(F)COc1ccc(-c2ccc(OCCCCCC)cc2)nc1
InChIInChI=1S/C27H40FNO2/c1-3-5-7-9-10-11-13-24(28)22-31-26-18-19-27(29-21-26)23-14-16-25(17-15-23)30-20-12-8-6-4-2/h14-19,21,24H,3-13,20,22H2,1-2H3
InChIKeyUQSCSSVYJFJFFZ-UHFFFAOYSA-N
MW429.62 g/mol
LogP8.18
Rot. Bonds17

About 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine

5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine (PubChem CID 139772001) has the molecular formula C27H40FNO2 and a molecular weight of 429.62 g/mol. Its IUPAC name is 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
PubChem CID139772001
Molecular FormulaC27H40FNO2
Molecular Weight429.62 g/mol
Exact Mass429.30
IUPAC Name5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
SMILESCCCCCCCCC(F)COc1ccc(-c2ccc(OCCCCCC)cc2)nc1
InChIInChI=1S/C27H40FNO2/c1-3-5-7-9-10-11-13-24(28)22-31-26-18-19-27(29-21-26)23-14-16-25(17-15-23)30-20-12-8-6-4-2/h14-19,21,24H,3-13,20,22H2,1-2H3
InChIKeyUQSCSSVYJFJFFZ-UHFFFAOYSA-N
XLogP8.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.62
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine
CID 139772028
1-[(2S)-2-fluorooctoxy]-4-(4-octoxyphenyl)benzene
CID 22844425
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
2-(4-decylphenyl)-5-(2-fluoroheptoxy)pyridine
CID 139772002
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
CID 139772067
5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
CID 139772024
2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
CID 139772111
5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
CID 139772078
5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
CID 139772010
6-[4-[(2S)-2-fluorooctoxy]phenyl]pyridine-3-carbaldehyde
CID 54249952
6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde
CID 19821242

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine?
The IUPAC name of 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine (CID 139772001) is 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine.
What is the SMILES notation for 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine?
The canonical SMILES for 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine is CCCCCCCCC(F)COc1ccc(-c2ccc(OCCCCCC)cc2)nc1.
What is the InChIKey of 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine?
The InChIKey is UQSCSSVYJFJFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40FNO2/c1-3-5-7-9-10-11-13-24(28)22-31-26-18-19-27(29-21-26)23-14-16-25(17-15-23)30-20-12-8-6-4-2/h14-19,21,24H,3-13,20,22H2,1-2H3.
What are the key properties of 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine?
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine has a molecular weight of 429.62 g/mol, XLogP of 8.18, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine is sourced from PubChem (CID 139772001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).