5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde

C18H11ClF2N2O — CID 143706264

IUPAC5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C18H11ClF2N2O/c19-14-6-13(10-24)18(22-9-14)23-17-15(20)7-12(8-16(17)21)11-4-2-1-3-5-11/h1-10H,(H,22,23)
InChIKeyOSKQRDCEDXATMR-UHFFFAOYSA-N
MW344.75 g/mol
LogP5.24
Rot. Bonds4

About 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde

5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde (PubChem CID 143706264) has the molecular formula C18H11ClF2N2O and a molecular weight of 344.75 g/mol. Its IUPAC name is 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde
PubChem CID143706264
Molecular FormulaC18H11ClF2N2O
Molecular Weight344.75 g/mol
Exact Mass344.05
IUPAC Name5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde
SMILESO=Cc1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C18H11ClF2N2O/c19-14-6-13(10-24)18(22-9-14)23-17-15(20)7-12(8-16(17)21)11-4-2-1-3-5-11/h1-10H,(H,22,23)
InChIKeyOSKQRDCEDXATMR-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.75
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-2-naphthalen-2-yl-1H-[1,8]naphthyridin-4-one
CID 386574
2-(4-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one
CID 386583
2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386586
2-(3-chlorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one
CID 386588
6-(3-Chlorophenylamino)-N-(4-fluorobenzyl)-4-isopropyl-nicotinamide
CID 17984783
2-(3-Chlorophenylamino)-4-trifluoromethylpyridine-5-carboxylic acid cyclohexylmethyl amide
CID 44570612
6-Chloro-2-(4-fluoro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386580
2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386581
5-Chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid
CID 24989026
2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 155546368
2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide
CID 155552244
2-amino-N-(2-chloro-6-methylphenyl)-5-(3-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 155559251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde (CID 143706264) is 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde is O=Cc1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F.
What is the InChIKey of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde?
The InChIKey is OSKQRDCEDXATMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O/c19-14-6-13(10-24)18(22-9-14)23-17-15(20)7-12(8-16(17)21)11-4-2-1-3-5-11/h1-10H,(H,22,23).
What are the key properties of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde?
5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde has a molecular weight of 344.75 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carbaldehyde is sourced from PubChem (CID 143706264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).