2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde

C19H13ClFNO2 — CID 59584980

IUPAC2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(Oc3ccccc3Cl)n2)cc1F
InChIInChI=1S/C19H13ClFNO2/c1-12-6-7-13(10-16(12)21)17-9-8-14(11-23)19(22-17)24-18-5-3-2-4-15(18)20/h2-11H,1H3
InChIKeyFSTNNKMCPBOFPC-UHFFFAOYSA-N
MW341.77 g/mol
LogP5.45
Rot. Bonds4

About 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde

2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde (PubChem CID 59584980) has the molecular formula C19H13ClFNO2 and a molecular weight of 341.77 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
PubChem CID59584980
Molecular FormulaC19H13ClFNO2
Molecular Weight341.77 g/mol
Exact Mass341.06
IUPAC Name2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)c(Oc3ccccc3Cl)n2)cc1F
InChIInChI=1S/C19H13ClFNO2/c1-12-6-7-13(10-16(12)21)17-9-8-14(11-23)19(22-17)24-18-5-3-2-4-15(18)20/h2-11H,1H3
InChIKeyFSTNNKMCPBOFPC-UHFFFAOYSA-N
XLogP5.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.77
LogP ≤ 55.45
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-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde (CID 59584980) is 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde is Cc1ccc(-c2ccc(C=O)c(Oc3ccccc3Cl)n2)cc1F.
What is the InChIKey of 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde?
The InChIKey is FSTNNKMCPBOFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2/c1-12-6-7-13(10-16(12)21)17-9-8-14(11-23)19(22-17)24-18-5-3-2-4-15(18)20/h2-11H,1H3.
What are the key properties of 2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde?
2-(2-chlorophenoxy)-6-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde has a molecular weight of 341.77 g/mol, XLogP of 5.45, 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-(3-fluoro-4-methylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 59584980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).