5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine

C24H34FNO — CID 139772010

IUPAC5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(OCC(F)CCCC)cn2)cc1
InChIInChI=1S/C24H34FNO/c1-3-5-7-8-9-10-20-12-14-21(15-13-20)24-17-16-23(18-26-24)27-19-22(25)11-6-4-2/h12-18,22H,3-11,19H2,1-2H3
InChIKeyOKDUZOMAAPITGG-UHFFFAOYSA-N
MW371.54 g/mol
LogP7.17
Rot. Bonds13

About 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine

5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine (PubChem CID 139772010) has the molecular formula C24H34FNO and a molecular weight of 371.54 g/mol. Its IUPAC name is 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine.

Molecular Properties

Compound Name5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
PubChem CID139772010
Molecular FormulaC24H34FNO
Molecular Weight371.54 g/mol
Exact Mass371.26
IUPAC Name5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(OCC(F)CCCC)cn2)cc1
InChIInChI=1S/C24H34FNO/c1-3-5-7-8-9-10-20-12-14-21(15-13-20)24-17-16-23(18-26-24)27-19-22(25)11-6-4-2/h12-18,22H,3-11,19H2,1-2H3
InChIKeyOKDUZOMAAPITGG-UHFFFAOYSA-N
XLogP7.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 57.17
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-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
CID 139772078
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
CID 139772067
2-(4-decylphenyl)-5-(2-fluoroheptoxy)pyridine
CID 139772002
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
2-(4-decylphenyl)-5-(2,5-difluorononoxy)pyrimidine
CID 18697154
5-(2,6-difluorodecoxy)-2-(4-octylphenyl)pyrimidine
CID 18697072
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161198
2-(4-decylphenyl)-5-[4-(2-fluorononoxy)phenyl]pyrimidine
CID 22161084
2-[4-(2-fluorooctoxy)phenyl]-5-(4-undecylphenyl)pyrimidine
CID 54155295

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine?
The IUPAC name of 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine (CID 139772010) is 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine.
What is the SMILES notation for 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine?
The canonical SMILES for 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine is CCCCCCCc1ccc(-c2ccc(OCC(F)CCCC)cn2)cc1.
What is the InChIKey of 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine?
The InChIKey is OKDUZOMAAPITGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO/c1-3-5-7-8-9-10-20-12-14-21(15-13-20)24-17-16-23(18-26-24)27-19-22(25)11-6-4-2/h12-18,22H,3-11,19H2,1-2H3.
What are the key properties of 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine?
5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine has a molecular weight of 371.54 g/mol, XLogP of 7.17, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine is sourced from PubChem (CID 139772010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).