5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde

C15H8Cl3NO — CID 4209000

IUPAC5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H8Cl3NO/c16-9-2-4-14-10(6-9)11(7-20)15(19-14)8-1-3-12(17)13(18)5-8/h1-7,19H
InChIKeyAPIRLZMSZMKYMF-UHFFFAOYSA-N
MW324.59 g/mol
LogP5.61
Rot. Bonds2

About 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde

5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde (PubChem CID 4209000) has the molecular formula C15H8Cl3NO and a molecular weight of 324.59 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
PubChem CID4209000
Molecular FormulaC15H8Cl3NO
Molecular Weight324.59 g/mol
Exact Mass322.97
IUPAC Name5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H8Cl3NO/c16-9-2-4-14-10(6-9)11(7-20)15(19-14)8-1-3-12(17)13(18)5-8/h1-7,19H
InChIKeyAPIRLZMSZMKYMF-UHFFFAOYSA-N
XLogP5.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3822875
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
2-[5-chloro-2-(3,4-dichlorophenyl)-1H-indol-3-yl]propanoic acid
CID 18175114
2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3777313
2-(4-methylphenyl)-5-propan-2-yl-1H-indole-3-carbaldehyde
CID 3799068
5-phenyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3741706
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3730627
5-chloro-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-methyl-1H-indole
CID 121402875
2-(3,4-difluorophenyl)-N,N-diethyl-3-formyl-1H-indole-5-sulfonamide
CID 3827821
3-formyl-N,N-dimethyl-2-(4-propan-2-ylphenyl)-1H-indole-5-sulfonamide
CID 3830629

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde (CID 4209000) is 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde?
The InChIKey is APIRLZMSZMKYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NO/c16-9-2-4-14-10(6-9)11(7-20)15(19-14)8-1-3-12(17)13(18)5-8/h1-7,19H.
What are the key properties of 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde?
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde has a molecular weight of 324.59 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4209000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).