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

C16H15Cl2NO2 — CID 23655215

IUPAC4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(Cl)c(CCCCl)c1=O
InChIInChI=1S/C16H15Cl2NO2/c1-11-5-2-3-7-14(11)19-9-12(10-20)15(18)13(16(19)21)6-4-8-17/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyICZIPKJEKDETFG-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.78
Rot. Bonds5

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

4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde (PubChem CID 23655215) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
PubChem CID23655215
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(Cl)c(CCCCl)c1=O
InChIInChI=1S/C16H15Cl2NO2/c1-11-5-2-3-7-14(11)19-9-12(10-20)15(18)13(16(19)21)6-4-8-17/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKeyICZIPKJEKDETFG-UHFFFAOYSA-N
XLogP3.78
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.78
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-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 102085295
5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 101460283
4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde
CID 23657653
1-(2-methylphenyl)imidazole-4-carbaldehyde
CID 24696905
4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one
CID 15749846
1-(2-chlorophenyl)indole-3-carbaldehyde
CID 87889462
3-butyl-4-chloro-1-phenylquinolin-2-one
CID 139216420
1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde
CID 96602655
2-(3-chloropropyl)-1-fluoro-3-methylbenzene
CID 118802920
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 91126361
2-butylbenzaldehyde;1-butyl-2-methylbenzene
CID 88505905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The IUPAC name of 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde (CID 23655215) is 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The canonical SMILES for 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde is Cc1ccccc1-n1cc(C=O)c(Cl)c(CCCCl)c1=O.
What is the InChIKey of 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde?
The InChIKey is ICZIPKJEKDETFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11-5-2-3-7-14(11)19-9-12(10-20)15(18)13(16(19)21)6-4-8-17/h2-3,5,7,9-10H,4,6,8H2,1H3.
What are the key properties of 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde?
4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde has a molecular weight of 324.21 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 23655215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).