2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde

C15H8Cl3NO — CID 3800822

IUPAC2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)c(Cl)c2Cl)cc2ccccn12
InChIInChI=1S/C15H8Cl3NO/c16-12-5-4-10(14(17)15(12)18)11-7-9-3-1-2-6-19(9)13(11)8-20/h1-8H
InChIKeySXIYLYQYOYMLHJ-UHFFFAOYSA-N
MW324.59 g/mol
LogP5.38
Rot. Bonds2

About 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde

2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde (PubChem CID 3800822) has the molecular formula C15H8Cl3NO and a molecular weight of 324.59 g/mol. Its IUPAC name is 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde
PubChem CID3800822
Molecular FormulaC15H8Cl3NO
Molecular Weight324.59 g/mol
Exact Mass322.97
IUPAC Name2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)c(Cl)c2Cl)cc2ccccn12
InChIInChI=1S/C15H8Cl3NO/c16-12-5-4-10(14(17)15(12)18)11-7-9-3-1-2-6-19(9)13(11)8-20/h1-8H
InChIKeySXIYLYQYOYMLHJ-UHFFFAOYSA-N
XLogP5.38
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenyl)indolizine-3-carbaldehyde
CID 4680448
2-(2,4-difluorophenyl)indolizine-3-carbaldehyde
CID 3833627
2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3753661
2-(5-ethyl-2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3760707
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-(3-tert-butyl-4-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 3817177
2-(2-chloro-4-phenylmethoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3768447
6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047
2-(5-chloro-2-methoxy-4-methylphenyl)-7-methylindolizine-3-carbaldehyde
CID 3733875
3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
CID 134635841
5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 133090311

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde?
The IUPAC name of 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde (CID 3800822) is 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde.
What is the SMILES notation for 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde?
The canonical SMILES for 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde is O=Cc1c(-c2ccc(Cl)c(Cl)c2Cl)cc2ccccn12.
What is the InChIKey of 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde?
The InChIKey is SXIYLYQYOYMLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NO/c16-12-5-4-10(14(17)15(12)18)11-7-9-3-1-2-6-19(9)13(11)8-20/h1-8H.
What are the key properties of 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde?
2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde has a molecular weight of 324.59 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trichlorophenyl)indolizine-3-carbaldehyde is sourced from PubChem (CID 3800822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).