2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde

C18H10ClF2NO2 — CID 59584976

IUPAC2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2F)nc1Oc1ccccc1Cl
InChIInChI=1S/C18H10ClF2NO2/c19-13-5-1-2-7-16(13)24-18-11(10-23)8-9-15(22-18)12-4-3-6-14(20)17(12)21/h1-10H
InChIKeyOXFKJZGRSSUFDZ-UHFFFAOYSA-N
MW345.73 g/mol
LogP5.28
Rot. Bonds4

About 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde

2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde (PubChem CID 59584976) has the molecular formula C18H10ClF2NO2 and a molecular weight of 345.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
PubChem CID59584976
Molecular FormulaC18H10ClF2NO2
Molecular Weight345.73 g/mol
Exact Mass345.04
IUPAC Name2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2F)nc1Oc1ccccc1Cl
InChIInChI=1S/C18H10ClF2NO2/c19-13-5-1-2-7-16(13)24-18-11(10-23)8-9-15(22-18)12-4-3-6-14(20)17(12)21/h1-10H
InChIKeyOXFKJZGRSSUFDZ-UHFFFAOYSA-N
XLogP5.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.73
LogP ≤ 55.28
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-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde (CID 59584976) is 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2cccc(F)c2F)nc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is OXFKJZGRSSUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2NO2/c19-13-5-1-2-7-16(13)24-18-11(10-23)8-9-15(22-18)12-4-3-6-14(20)17(12)21/h1-10H.
What are the key properties of 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde?
2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 345.73 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-6-(2,3-difluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 59584976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).