4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde

C15H13Cl2NO2 — CID 102085295

IUPAC4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(Cl)c(CCCl)c1=O
InChIInChI=1S/C15H13Cl2NO2/c1-10-4-2-3-5-13(10)18-8-11(9-19)14(17)12(6-7-16)15(18)20/h2-5,8-9H,6-7H2,1H3
InChIKeyCOAJVOLTBAAYID-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.39
Rot. Bonds4

About 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde

4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde (PubChem CID 102085295) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
PubChem CID102085295
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(Cl)c(CCCl)c1=O
InChIInChI=1S/C15H13Cl2NO2/c1-10-4-2-3-5-13(10)18-8-11(9-19)14(17)12(6-7-16)15(18)20/h2-5,8-9H,6-7H2,1H3
InChIKeyCOAJVOLTBAAYID-UHFFFAOYSA-N
XLogP3.39
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 23655215
5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 101460283
4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one
CID 15749846
4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde
CID 23657653
1-(2-chlorophenyl)indole-3-carbaldehyde
CID 87889462
1-(2-methylphenyl)imidazole-4-carbaldehyde
CID 24696905
1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde
CID 96602655
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
2-chloro-4-methylbenzene-1,3-dicarbaldehyde
CID 141225614
ethanol;2-methylbenzaldehyde
CID 161286186
2-(2-methylphenyl)-3-propylisoquinolin-1-one
CID 176652647
3-(2,6-dimethylphenyl)propanal
CID 73014071

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The IUPAC name of 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde (CID 102085295) is 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The canonical SMILES for 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde is Cc1ccccc1-n1cc(C=O)c(Cl)c(CCCl)c1=O.
What is the InChIKey of 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The InChIKey is COAJVOLTBAAYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-10-4-2-3-5-13(10)18-8-11(9-19)14(17)12(6-7-16)15(18)20/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde?
4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde has a molecular weight of 310.18 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 102085295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).