3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine

C23H32FNO — CID 19807967

IUPAC3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine
SMILESCCCCCCOc1ccccc1-c1ccncc1CCC(F)CCC
InChIInChI=1S/C23H32FNO/c1-3-5-6-9-17-26-23-12-8-7-11-22(23)21-15-16-25-18-19(21)13-14-20(24)10-4-2/h7-8,11-12,15-16,18,20H,3-6,9-10,13-14,17H2,1-2H3
InChIKeyZAURHLDGYWNLML-UHFFFAOYSA-N
MW357.51 g/mol
LogP6.78
Rot. Bonds12

About 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine

3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine (PubChem CID 19807967) has the molecular formula C23H32FNO and a molecular weight of 357.51 g/mol. Its IUPAC name is 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine.

Molecular Properties

Compound Name3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine
PubChem CID19807967
Molecular FormulaC23H32FNO
Molecular Weight357.51 g/mol
Exact Mass357.25
IUPAC Name3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine
SMILESCCCCCCOc1ccccc1-c1ccncc1CCC(F)CCC
InChIInChI=1S/C23H32FNO/c1-3-5-6-9-17-26-23-12-8-7-11-22(23)21-15-16-25-18-19(21)13-14-20(24)10-4-2/h7-8,11-12,15-16,18,20H,3-6,9-10,13-14,17H2,1-2H3
InChIKeyZAURHLDGYWNLML-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

4-(2-decoxyphenyl)-3-(3-fluoro-4-methylpentyl)pyridine
CID 19807948
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859532
2-(2-hexoxyphenyl)-5-octylpyrimidine
CID 19840010
2-(3-pentyl-4-pyridinyl)phenol
CID 135745178
3-[1-(4-butylcyclohexyl)ethyl]-4-(2-pentoxyphenyl)pyridine
CID 19859522
4-(2-pentoxyphenyl)-3-[1-(4-propylcyclohexyl)ethyl]pyridine
CID 19859911
N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
CID 81255386
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426
1-octadecoxy-2-phenylbenzene
CID 70983974
1-(2-octoxyphenyl)-9H-carbazole
CID 174629986
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine?
The IUPAC name of 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine (CID 19807967) is 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine.
What is the SMILES notation for 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine?
The canonical SMILES for 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine is CCCCCCOc1ccccc1-c1ccncc1CCC(F)CCC.
What is the InChIKey of 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine?
The InChIKey is ZAURHLDGYWNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO/c1-3-5-6-9-17-26-23-12-8-7-11-22(23)21-15-16-25-18-19(21)13-14-20(24)10-4-2/h7-8,11-12,15-16,18,20H,3-6,9-10,13-14,17H2,1-2H3.
What are the key properties of 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine?
3-(3-fluorohexyl)-4-(2-hexoxyphenyl)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 3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine is sourced from PubChem (CID 19807967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).