2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde

C17H13Cl2NO — CID 3750935

IUPAC2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
SMILESCc1cc(C)c2[nH]c(-c3cc(Cl)ccc3Cl)c(C=O)c2c1
InChIInChI=1S/C17H13Cl2NO/c1-9-5-10(2)16-12(6-9)14(8-21)17(20-16)13-7-11(18)3-4-15(13)19/h3-8,20H,1-2H3
InChIKeyNADWCNYSNUDXPH-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.57
Rot. Bonds2

About 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde

2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde (PubChem CID 3750935) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
PubChem CID3750935
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
SMILESCc1cc(C)c2[nH]c(-c3cc(Cl)ccc3Cl)c(C=O)c2c1
InChIInChI=1S/C17H13Cl2NO/c1-9-5-10(2)16-12(6-9)14(8-21)17(20-16)13-7-11(18)3-4-15(13)19/h3-8,20H,1-2H3
InChIKeyNADWCNYSNUDXPH-UHFFFAOYSA-N
XLogP5.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.57
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)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3830645
5,7-dimethyl-2-(2-methylphenyl)-1H-indole-3-carbaldehyde
CID 3776362
2-(3-chlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3328264
5-chloro-2-(2,4-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3699647
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 3460263
5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3844698
2-(2,3-difluorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 87405106
2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
1-(2,5-dichlorophenyl)-6,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4280171
2-(3,4-dichlorophenyl)-4,6-dimethylbenzaldehyde
CID 13186066
2-(2,4-dimethylphenyl)-1H-benzo[g]indole-3-carbaldehyde
CID 3695838

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde (CID 3750935) is 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde is Cc1cc(C)c2[nH]c(-c3cc(Cl)ccc3Cl)c(C=O)c2c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde?
The InChIKey is NADWCNYSNUDXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-9-5-10(2)16-12(6-9)14(8-21)17(20-16)13-7-11(18)3-4-15(13)19/h3-8,20H,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde?
2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde has a molecular weight of 318.20 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3750935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).