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

C13H5Cl2F2NOS — CID 4519698

IUPAC2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C13H5Cl2F2NOS/c14-10-3-7(13(15)20-10)11-8(4-19)6-1-5(16)2-9(17)12(6)18-11/h1-4,18H
InChIKeyOAPDGAQBEZBNLE-UHFFFAOYSA-N
MW332.16 g/mol
LogP5.29
Rot. Bonds2

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

2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde (PubChem CID 4519698) has the molecular formula C13H5Cl2F2NOS and a molecular weight of 332.16 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde
PubChem CID4519698
Molecular FormulaC13H5Cl2F2NOS
Molecular Weight332.16 g/mol
Exact Mass330.94
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C13H5Cl2F2NOS/c14-10-3-7(13(15)20-10)11-8(4-19)6-1-5(16)2-9(17)12(6)18-11/h1-4,18H
InChIKeyOAPDGAQBEZBNLE-UHFFFAOYSA-N
XLogP5.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.16
LogP ≤ 55.29
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

7-chloro-2-(2,5-dichlorothiophen-3-yl)-1H-indole-3-carbaldehyde
CID 3823757
5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
CID 3764399
5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3844698
5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
5,7-difluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3789145
2-(2,5-dichlorothiophen-3-yl)-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3489587
5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3730627
2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3611207
5,7-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-3-carbaldehyde;methoxymethane
CID 172606670
1,3,6,8-tetrafluoro-9H-carbazole
CID 163211724
5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane
CID 172606579
ethyl 5,7-difluoro-3-formyl-1H-indole-2-carboxylate
CID 4587029

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde (CID 4519698) is 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde is O=Cc1c(-c2cc(Cl)sc2Cl)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde?
The InChIKey is OAPDGAQBEZBNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F2NOS/c14-10-3-7(13(15)20-10)11-8(4-19)6-1-5(16)2-9(17)12(6)18-11/h1-4,18H.
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde?
2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde has a molecular weight of 332.16 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 4519698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).