5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde

C15H8Cl2FNO — CID 3730627

IUPAC5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cccc(Cl)c2)[nH]c2c(F)cc(Cl)cc12
InChIInChI=1S/C15H8Cl2FNO/c16-9-3-1-2-8(4-9)14-12(7-20)11-5-10(17)6-13(18)15(11)19-14/h1-7,19H
InChIKeyWECHZSLEUKGPGY-UHFFFAOYSA-N
MW308.14 g/mol
LogP5.09
Rot. Bonds2

About 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde

5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde (PubChem CID 3730627) has the molecular formula C15H8Cl2FNO and a molecular weight of 308.14 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
PubChem CID3730627
Molecular FormulaC15H8Cl2FNO
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2cccc(Cl)c2)[nH]c2c(F)cc(Cl)cc12
InChIInChI=1S/C15H8Cl2FNO/c16-9-3-1-2-8(4-9)14-12(7-20)11-5-10(17)6-13(18)15(11)19-14/h1-7,19H
InChIKeyWECHZSLEUKGPGY-UHFFFAOYSA-N
XLogP5.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.14
LogP ≤ 55.09
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

5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3370647
2-(3-chlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3328264
5,7-difluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3789145
5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
CID 3764399
2-(3-chlorophenyl)-4,6-difluoro-1H-indole-3-carbaldehyde
CID 87406062
7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268
5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3844698
2-(3-chlorophenyl)-6-fluorobenzaldehyde
CID 172993863
5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde
CID 123644436
2-tert-butyl-5-chloro-7-fluoro-1H-indole-3-carbaldehyde
CID 3828991
5-chloro-2-(3,4-dichlorophenyl)-1H-indole-3-carbaldehyde
CID 4209000
7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3753666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde (CID 3730627) is 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde is O=Cc1c(-c2cccc(Cl)c2)[nH]c2c(F)cc(Cl)cc12.
What is the InChIKey of 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The InChIKey is WECHZSLEUKGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO/c16-9-3-1-2-8(4-9)14-12(7-20)11-5-10(17)6-13(18)15(11)19-14/h1-7,19H.
What are the key properties of 5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde?
5-chloro-2-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde has a molecular weight of 308.14 g/mol, XLogP of 5.09, 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-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3730627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).