5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine

C23H32FNO — CID 15702592

IUPAC5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(CCCC(C)F)cn2)cc1
InChIInChI=1S/C23H32FNO/c1-3-4-5-6-7-17-26-22-14-12-21(13-15-22)23-16-11-20(18-25-23)10-8-9-19(2)24/h11-16,18-19H,3-10,17H2,1-2H3
InChIKeyNBAQFCLKWXSTJH-UHFFFAOYSA-N
MW357.51 g/mol
LogP6.78
Rot. Bonds12

About 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine

5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine (PubChem CID 15702592) has the molecular formula C23H32FNO and a molecular weight of 357.51 g/mol. Its IUPAC name is 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine.

Molecular Properties

Compound Name5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine
PubChem CID15702592
Molecular FormulaC23H32FNO
Molecular Weight357.51 g/mol
Exact Mass357.25
IUPAC Name5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(CCCC(C)F)cn2)cc1
InChIInChI=1S/C23H32FNO/c1-3-4-5-6-7-17-26-22-14-12-21(13-15-22)23-16-11-20(18-25-23)10-8-9-19(2)24/h11-16,18-19H,3-10,17H2,1-2H3
InChIKeyNBAQFCLKWXSTJH-UHFFFAOYSA-N
XLogP6.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.51
LogP ≤ 56.78
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

5-(4-fluoroundecyl)-2-(4-nonoxyphenyl)pyridine
CID 15702606
5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine
CID 15702604
5-(4-fluorodecyl)-2-(4-heptoxyphenyl)pyridine
CID 15702597
5-(4-fluorodecyl)-2-(4-nonoxyphenyl)pyridine
CID 15702605
5-(4-fluorononyl)-2-(4-hexoxyphenyl)pyridine
CID 15702588
5-(4-fluoroundecyl)-2-(4-hexoxyphenyl)pyridine
CID 15702590
5-(4-fluorododecyl)-2-(4-heptoxyphenyl)pyridine
CID 15702599
5-(4-fluorodecyl)-2-(4-hexoxyphenyl)pyridine
CID 15702589
5-(4-fluorooctyl)-2-(4-nonoxyphenyl)pyridine
CID 15702603
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
5-(3-fluorodecyl)-2-(4-nonoxyphenyl)pyridine
CID 54366455

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine?
The IUPAC name of 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine (CID 15702592) is 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine.
What is the SMILES notation for 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine?
The canonical SMILES for 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine is CCCCCCCOc1ccc(-c2ccc(CCCC(C)F)cn2)cc1.
What is the InChIKey of 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine?
The InChIKey is NBAQFCLKWXSTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO/c1-3-4-5-6-7-17-26-22-14-12-21(13-15-22)23-16-11-20(18-25-23)10-8-9-19(2)24/h11-16,18-19H,3-10,17H2,1-2H3.
What are the key properties of 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine?
5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine has a molecular weight of 357.51 g/mol, XLogP of 6.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropentyl)-2-(4-heptoxyphenyl)pyridine is sourced from PubChem (CID 15702592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).