2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine

C24H34FNO2 — CID 139772111

IUPAC2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(OCC(C)F)cn2)cc1
InChIInChI=1S/C24H34FNO2/c1-3-4-5-6-7-8-9-10-17-27-22-13-11-21(12-14-22)24-16-15-23(18-26-24)28-19-20(2)25/h11-16,18,20H,3-10,17,19H2,1-2H3
InChIKeyXNIRJMKAPVMPSJ-UHFFFAOYSA-N
MW387.54 g/mol
LogP7.00
Rot. Bonds14

About 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine

2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine (PubChem CID 139772111) has the molecular formula C24H34FNO2 and a molecular weight of 387.54 g/mol. Its IUPAC name is 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine.

Molecular Properties

Compound Name2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
PubChem CID139772111
Molecular FormulaC24H34FNO2
Molecular Weight387.54 g/mol
Exact Mass387.26
IUPAC Name2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc(OCC(C)F)cn2)cc1
InChIInChI=1S/C24H34FNO2/c1-3-4-5-6-7-8-9-10-17-27-22-13-11-21(12-14-22)24-16-15-23(18-26-24)28-19-20(2)25/h11-16,18,20H,3-10,17,19H2,1-2H3
InChIKeyXNIRJMKAPVMPSJ-UHFFFAOYSA-N
XLogP7.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.54
LogP ≤ 57.00
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-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
CID 139772024
5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine
CID 139772028
5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
CID 23181046
5-butoxy-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 23180662
5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine
CID 15702592
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
2-[4-(4-heptoxyphenyl)phenyl]-5-(4-methylphenyl)pyridine
CID 102122193
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713

Frequently Asked Questions

What is the IUPAC name of 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine?
The IUPAC name of 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine (CID 139772111) is 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine.
What is the SMILES notation for 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine?
The canonical SMILES for 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine is CCCCCCCCCCOc1ccc(-c2ccc(OCC(C)F)cn2)cc1.
What is the InChIKey of 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine?
The InChIKey is XNIRJMKAPVMPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO2/c1-3-4-5-6-7-8-9-10-17-27-22-13-11-21(12-14-22)24-16-15-23(18-26-24)28-19-20(2)25/h11-16,18,20H,3-10,17,19H2,1-2H3.
What are the key properties of 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine?
2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine has a molecular weight of 387.54 g/mol, XLogP of 7.00, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine is sourced from PubChem (CID 139772111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).