7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde

C13H6Cl3NOS — CID 3823757

IUPAC7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)[nH]c2c(Cl)cccc12
InChIInChI=1S/C13H6Cl3NOS/c14-9-3-1-2-6-8(5-18)11(17-12(6)9)7-4-10(15)19-13(7)16/h1-5,17H
InChIKeyIXAGVFNJJFLFTI-UHFFFAOYSA-N
MW330.62 g/mol
LogP5.67
Rot. Bonds2

About 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde

7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde (PubChem CID 3823757) has the molecular formula C13H6Cl3NOS and a molecular weight of 330.62 g/mol. Its IUPAC name is 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
PubChem CID3823757
Molecular FormulaC13H6Cl3NOS
Molecular Weight330.62 g/mol
Exact Mass328.92
IUPAC Name7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)[nH]c2c(Cl)cccc12
InChIInChI=1S/C13H6Cl3NOS/c14-9-3-1-2-6-8(5-18)11(17-12(6)9)7-4-10(15)19-13(7)16/h1-5,17H
InChIKeyIXAGVFNJJFLFTI-UHFFFAOYSA-N
XLogP5.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.62
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde
CID 4519698
7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
CID 123197725
2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3489587
7-chloro-2-cyclopropyl-1H-indole-3-carbaldehyde
CID 123353144
2-tert-butyl-7-chloro-1H-indole-3-carbaldehyde
CID 3796978
7-chloro-2-methoxy-1H-indole-3-carbaldehyde
CID 82394981
2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3611207
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3799575
4-(2,5-dichlorothiophen-3-yl)benzaldehyde
CID 125491605
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde (CID 3823757) is 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2cc(Cl)sc2Cl)[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
The InChIKey is IXAGVFNJJFLFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3NOS/c14-9-3-1-2-6-8(5-18)11(17-12(6)9)7-4-10(15)19-13(7)16/h1-5,17H.
What are the key properties of 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde?
7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde has a molecular weight of 330.62 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3823757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).