6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde

C20H24FNO2 — CID 19821242

IUPAC6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde
SMILESCCCCCCC(F)COc1ccc(-c2ccc(C=O)cn2)cc1
InChIInChI=1S/C20H24FNO2/c1-2-3-4-5-6-18(21)15-24-19-10-8-17(9-11-19)20-12-7-16(14-23)13-22-20/h7-14,18H,2-6,15H2,1H3
InChIKeyQWBAOFPWCDBRLS-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.25
Rot. Bonds10

About 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde

6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde (PubChem CID 19821242) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde
PubChem CID19821242
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde
SMILESCCCCCCC(F)COc1ccc(-c2ccc(C=O)cn2)cc1
InChIInChI=1S/C20H24FNO2/c1-2-3-4-5-6-18(21)15-24-19-10-8-17(9-11-19)20-12-7-16(14-23)13-22-20/h7-14,18H,2-6,15H2,1H3
InChIKeyQWBAOFPWCDBRLS-UHFFFAOYSA-N
XLogP5.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[(2S)-2-fluorooctoxy]phenyl]pyridine-3-carbaldehyde
CID 54249952
5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
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-fluorohexoxy)-2-(4-undecylphenyl)pyridine
CID 139772078
5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
CID 139772010
1-[(2S)-2-fluorooctoxy]-4-(4-octoxyphenyl)benzene
CID 22844425
2,5-bis[4-(2-fluoro-9-methoxynonoxy)phenyl]pyridine
CID 139621888
2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine
CID 90769848
2-[4-[(2S)-2-fluorooctoxy]phenyl]-5-octylpyrimidine
CID 22844431

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde (CID 19821242) is 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde is CCCCCCC(F)COc1ccc(-c2ccc(C=O)cn2)cc1.
What is the InChIKey of 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde?
The InChIKey is QWBAOFPWCDBRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-2-3-4-5-6-18(21)15-24-19-10-8-17(9-11-19)20-12-7-16(14-23)13-22-20/h7-14,18H,2-6,15H2,1H3.
What are the key properties of 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde?
6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde has a molecular weight of 329.42 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorooctoxy)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 19821242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).