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

C22H30FNO2 — CID 139772024

IUPAC5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(OCC(C)F)cn2)cc1
InChIInChI=1S/C22H30FNO2/c1-3-4-5-6-7-8-15-25-20-11-9-19(10-12-20)22-14-13-21(16-24-22)26-17-18(2)23/h9-14,16,18H,3-8,15,17H2,1-2H3
InChIKeyNXNZAAUJIIGHKY-UHFFFAOYSA-N
MW359.49 g/mol
LogP6.22
Rot. Bonds12

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

5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine (PubChem CID 139772024) has the molecular formula C22H30FNO2 and a molecular weight of 359.49 g/mol. Its IUPAC name is 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
PubChem CID139772024
Molecular FormulaC22H30FNO2
Molecular Weight359.49 g/mol
Exact Mass359.23
IUPAC Name5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(OCC(C)F)cn2)cc1
InChIInChI=1S/C22H30FNO2/c1-3-4-5-6-7-8-15-25-20-11-9-19(10-12-20)22-14-13-21(16-24-22)26-17-18(2)23/h9-14,16,18H,3-8,15,17H2,1-2H3
InChIKeyNXNZAAUJIIGHKY-UHFFFAOYSA-N
XLogP6.22
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 56.22
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

2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
CID 139772111
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 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine?
The IUPAC name of 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine (CID 139772024) is 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine.
What is the SMILES notation for 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine?
The canonical SMILES for 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine is CCCCCCCCOc1ccc(-c2ccc(OCC(C)F)cn2)cc1.
What is the InChIKey of 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine?
The InChIKey is NXNZAAUJIIGHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO2/c1-3-4-5-6-7-8-15-25-20-11-9-19(10-12-20)22-14-13-21(16-24-22)26-17-18(2)23/h9-14,16,18H,3-8,15,17H2,1-2H3.
What are the key properties of 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine?
5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine has a molecular weight of 359.49 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine is sourced from PubChem (CID 139772024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).