2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde

C18H9F4NO2 — CID 59585043

IUPAC2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2F)nc1Oc1cc(F)ccc1F
InChIInChI=1S/C18H9F4NO2/c19-11-5-6-13(20)16(8-11)25-18-10(9-24)4-7-15(23-18)12-2-1-3-14(21)17(12)22/h1-9H
InChIKeyFOPLDLCFSJTSEJ-UHFFFAOYSA-N
MW347.27 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde

2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde (PubChem CID 59585043) has the molecular formula C18H9F4NO2 and a molecular weight of 347.27 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
PubChem CID59585043
Molecular FormulaC18H9F4NO2
Molecular Weight347.27 g/mol
Exact Mass347.06
IUPAC Name2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2F)nc1Oc1cc(F)ccc1F
InChIInChI=1S/C18H9F4NO2/c19-11-5-6-13(20)16(8-11)25-18-10(9-24)4-7-15(23-18)12-2-1-3-14(21)17(12)22/h1-9H
InChIKeyFOPLDLCFSJTSEJ-UHFFFAOYSA-N
XLogP4.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde (CID 59585043) is 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2cccc(F)c2F)nc1Oc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is FOPLDLCFSJTSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F4NO2/c19-11-5-6-13(20)16(8-11)25-18-10(9-24)4-7-15(23-18)12-2-1-3-14(21)17(12)22/h1-9H.
What are the key properties of 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 347.27 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 59585043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).