2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine

C29H44FNO — CID 139772067

IUPAC2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(OCC(F)CCCCCC)cn2)cc1
InChIInChI=1S/C29H44FNO/c1-3-5-7-9-10-11-12-13-15-25-17-19-26(20-18-25)29-22-21-28(23-31-29)32-24-27(30)16-14-8-6-4-2/h17-23,27H,3-16,24H2,1-2H3
InChIKeyMVFAETGGVQRUEK-UHFFFAOYSA-N
MW441.68 g/mol
LogP9.12
Rot. Bonds18

About 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine

2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine (PubChem CID 139772067) has the molecular formula C29H44FNO and a molecular weight of 441.68 g/mol. Its IUPAC name is 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine.

Molecular Properties

Compound Name2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
PubChem CID139772067
Molecular FormulaC29H44FNO
Molecular Weight441.68 g/mol
Exact Mass441.34
IUPAC Name2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
SMILESCCCCCCCCCCc1ccc(-c2ccc(OCC(F)CCCCCC)cn2)cc1
InChIInChI=1S/C29H44FNO/c1-3-5-7-9-10-11-12-13-15-25-17-19-26(20-18-25)29-22-21-28(23-31-29)32-24-27(30)16-14-8-6-4-2/h17-23,27H,3-16,24H2,1-2H3
InChIKeyMVFAETGGVQRUEK-UHFFFAOYSA-N
XLogP9.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.68
LogP ≤ 59.12
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

2-(4-decylphenyl)-5-(2-fluoroheptoxy)pyridine
CID 139772002
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
CID 139772078
5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
CID 139772010
5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
5-[4-(2-fluorooctoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161253
2-(4-decylphenyl)-5-[4-(2-fluorononoxy)phenyl]pyrimidine
CID 22161084
2-[4-(2-fluorooctoxy)phenyl]-5-(4-undecylphenyl)pyrimidine
CID 54155295
5-(4-decylphenyl)-2-[4-(2-fluorodecoxy)phenyl]pyrimidine
CID 54330983
5-[4-(2-fluorododecoxy)phenyl]-2-(4-heptylphenyl)pyrimidine
CID 22161269
5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161198

Frequently Asked Questions

What is the IUPAC name of 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine?
The IUPAC name of 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine (CID 139772067) is 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine.
What is the SMILES notation for 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine?
The canonical SMILES for 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine is CCCCCCCCCCc1ccc(-c2ccc(OCC(F)CCCCCC)cn2)cc1.
What is the InChIKey of 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine?
The InChIKey is MVFAETGGVQRUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44FNO/c1-3-5-7-9-10-11-12-13-15-25-17-19-26(20-18-25)29-22-21-28(23-31-29)32-24-27(30)16-14-8-6-4-2/h17-23,27H,3-16,24H2,1-2H3.
What are the key properties of 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine?
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine has a molecular weight of 441.68 g/mol, XLogP of 9.12, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine is sourced from PubChem (CID 139772067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).