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

C20H16ClNO2 — CID 59585046

IUPAC2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde
SMILESCc1cccc(-c2ccc(C=O)c(Oc3ccccc3Cl)n2)c1C
InChIInChI=1S/C20H16ClNO2/c1-13-6-5-7-16(14(13)2)18-11-10-15(12-23)20(22-18)24-19-9-4-3-8-17(19)21/h3-12H,1-2H3
InChIKeyODQXTAMZYZSXID-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.62
Rot. Bonds4

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

2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde (PubChem CID 59585046) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde
PubChem CID59585046
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde
SMILESCc1cccc(-c2ccc(C=O)c(Oc3ccccc3Cl)n2)c1C
InChIInChI=1S/C20H16ClNO2/c1-13-6-5-7-16(14(13)2)18-11-10-15(12-23)20(22-18)24-19-9-4-3-8-17(19)21/h3-12H,1-2H3
InChIKeyODQXTAMZYZSXID-UHFFFAOYSA-N
XLogP5.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.62
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-dimethylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde (CID 59585046) is 2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde is Cc1cccc(-c2ccc(C=O)c(Oc3ccccc3Cl)n2)c1C.
What is the InChIKey of 2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde?
The InChIKey is ODQXTAMZYZSXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-13-6-5-7-16(14(13)2)18-11-10-15(12-23)20(22-18)24-19-9-4-3-8-17(19)21/h3-12H,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde?
2-(2-chlorophenoxy)-6-(2,3-dimethylphenyl)pyridine-3-carbaldehyde has a molecular weight of 337.81 g/mol, XLogP of 5.62, 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-dimethylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 59585046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).