2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine

C37H51F2NO4 — CID 139621888

IUPAC2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine
SMILESCOCCCCCCCC(F)COc1ccc(-c2ccc(-c3ccc(OCC(F)CCCCCCCOC)cc3)nc2)cc1
InChIInChI=1S/C37H51F2NO4/c1-41-25-11-7-3-5-9-13-33(38)28-43-35-20-15-30(16-21-35)32-19-24-37(40-27-32)31-17-22-36(23-18-31)44-29-34(39)14-10-6-4-8-12-26-42-2/h15-24,27,33-34H,3-14,25-26,28-29H2,1-2H3
InChIKeyZRHZFFOQQPRJEI-UHFFFAOYSA-N
MW611.81 g/mol
LogP9.82
Rot. Bonds24

About 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine

2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine (PubChem CID 139621888) has the molecular formula C37H51F2NO4 and a molecular weight of 611.81 g/mol. Its IUPAC name is 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine.

Molecular Properties

Compound Name2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine
PubChem CID139621888
Molecular FormulaC37H51F2NO4
Molecular Weight611.81 g/mol
Exact Mass611.38
IUPAC Name2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine
SMILESCOCCCCCCCC(F)COc1ccc(-c2ccc(-c3ccc(OCC(F)CCCCCCCOC)cc3)nc2)cc1
InChIInChI=1S/C37H51F2NO4/c1-41-25-11-7-3-5-9-13-33(38)28-43-35-20-15-30(16-21-35)32-19-24-37(40-27-32)31-17-22-36(23-18-31)44-29-34(39)14-10-6-4-8-12-26-42-2/h15-24,27,33-34H,3-14,25-26,28-29H2,1-2H3
InChIKeyZRHZFFOQQPRJEI-UHFFFAOYSA-N
XLogP9.82
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.81
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
1-[(2S)-2-fluorooctoxy]-4-(4-octoxyphenyl)benzene
CID 22844425
2-[4-(2-fluorononoxy)phenyl]-5-(4-hexoxyphenyl)pyrimidine
CID 54419538
2-[4-(2-fluoroheptoxy)phenyl]-5-(4-hexoxyphenyl)pyrimidine
CID 54512146
5-(4-decoxyphenyl)-2-[4-(2-fluoroundecoxy)phenyl]pyrimidine
CID 54471281
6-[4-[(2S)-2-fluorooctoxy]phenyl]pyridine-3-carbaldehyde
CID 54249952
6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde
CID 19821242
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
CID 139772067
2-(4-decylphenyl)-5-(2-fluoroheptoxy)pyridine
CID 139772002
5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine
CID 139772028

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine?
The IUPAC name of 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine (CID 139621888) is 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine.
What is the SMILES notation for 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine?
The canonical SMILES for 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine is COCCCCCCCC(F)COc1ccc(-c2ccc(-c3ccc(OCC(F)CCCCCCCOC)cc3)nc2)cc1.
What is the InChIKey of 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine?
The InChIKey is ZRHZFFOQQPRJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51F2NO4/c1-41-25-11-7-3-5-9-13-33(38)28-43-35-20-15-30(16-21-35)32-19-24-37(40-27-32)31-17-22-36(23-18-31)44-29-34(39)14-10-6-4-8-12-26-42-2/h15-24,27,33-34H,3-14,25-26,28-29H2,1-2H3.
What are the key properties of 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine?
2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine has a molecular weight of 611.81 g/mol, XLogP of 9.82, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine is sourced from PubChem (CID 139621888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).