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

C15H11ClFNOS — CID 3844698

IUPAC5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
SMILESCc1cc(-c2[nH]c3c(F)cc(Cl)cc3c2C=O)c(C)s1
InChIInChI=1S/C15H11ClFNOS/c1-7-3-10(8(2)20-7)14-12(6-19)11-4-9(16)5-13(17)15(11)18-14/h3-6,18H,1-2H3
InChIKeyDDQADVZWZPBGIQ-UHFFFAOYSA-N
MW307.78 g/mol
LogP5.12
Rot. Bonds2

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

5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde (PubChem CID 3844698) has the molecular formula C15H11ClFNOS and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
PubChem CID3844698
Molecular FormulaC15H11ClFNOS
Molecular Weight307.78 g/mol
Exact Mass307.02
IUPAC Name5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
SMILESCc1cc(-c2[nH]c3c(F)cc(Cl)cc3c2C=O)c(C)s1
InChIInChI=1S/C15H11ClFNOS/c1-7-3-10(8(2)20-7)14-12(6-19)11-4-9(16)5-13(17)15(11)18-14/h3-6,18H,1-2H3
InChIKeyDDQADVZWZPBGIQ-UHFFFAOYSA-N
XLogP5.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.78
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde (CID 3844698) is 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde is Cc1cc(-c2[nH]c3c(F)cc(Cl)cc3c2C=O)c(C)s1.
What is the InChIKey of 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde?
The InChIKey is DDQADVZWZPBGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNOS/c1-7-3-10(8(2)20-7)14-12(6-19)11-4-9(16)5-13(17)15(11)18-14/h3-6,18H,1-2H3.
What are the key properties of 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde?
5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde has a molecular weight of 307.78 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3844698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).