5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde

C20H16ClNO2 — CID 101460283

IUPAC5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde
SMILESCc1ccc(-n2cc(C=O)c(Cl)c(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H16ClNO2/c1-14-7-9-17(10-8-14)22-12-16(13-23)19(21)18(20(22)24)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyOTXODQNLBYCDQG-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.20
Rot. Bonds4

About 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde

5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde (PubChem CID 101460283) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde
PubChem CID101460283
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde
SMILESCc1ccc(-n2cc(C=O)c(Cl)c(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H16ClNO2/c1-14-7-9-17(10-8-14)22-12-16(13-23)19(21)18(20(22)24)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyOTXODQNLBYCDQG-UHFFFAOYSA-N
XLogP4.20
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 102085295
4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 23655215
4-benzyl-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 69343421
4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde
CID 23657653
3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione
CID 15309240
4-iodo-2-(4-methylphenyl)isoquinolin-1-one
CID 164853851
1-benzyl-4-methylbenzene;toluene
CID 144690555
5-benzyl-6-oxo-1,3-diphenylpyrimidin-3-ium-4-olate
CID 2783615
5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 13157207
ethane;2-(4-methylphenyl)isoquinolin-1-one
CID 91168676
4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one
CID 174232254
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The IUPAC name of 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde (CID 101460283) is 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The canonical SMILES for 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde is Cc1ccc(-n2cc(C=O)c(Cl)c(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The InChIKey is OTXODQNLBYCDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-14-7-9-17(10-8-14)22-12-16(13-23)19(21)18(20(22)24)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3.
What are the key properties of 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde?
5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde has a molecular weight of 337.81 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 101460283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).