2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde

C20H24FNO2 — CID 19046983

IUPAC2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde
SMILESCCCCCCCCOc1ccc(-c2ccc(C=O)c(F)n2)cc1
InChIInChI=1S/C20H24FNO2/c1-2-3-4-5-6-7-14-24-18-11-8-16(9-12-18)19-13-10-17(15-23)20(21)22-19/h8-13,15H,2-7,14H2,1H3
InChIKeyJBEQMRNCYYKYRV-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.44
Rot. Bonds10

About 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde

2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde (PubChem CID 19046983) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde
PubChem CID19046983
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde
SMILESCCCCCCCCOc1ccc(-c2ccc(C=O)c(F)n2)cc1
InChIInChI=1S/C20H24FNO2/c1-2-3-4-5-6-7-14-24-18-11-8-16(9-12-18)19-13-10-17(15-23)20(21)22-19/h8-13,15H,2-7,14H2,1H3
InChIKeyJBEQMRNCYYKYRV-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde (CID 19046983) is 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde is CCCCCCCCOc1ccc(-c2ccc(C=O)c(F)n2)cc1.
What is the InChIKey of 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is JBEQMRNCYYKYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-2-3-4-5-6-7-14-24-18-11-8-16(9-12-18)19-13-10-17(15-23)20(21)22-19/h8-13,15H,2-7,14H2,1H3.
What are the key properties of 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde?
2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 329.42 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-octoxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 19046983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).