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

C15H8Cl2FNO — CID 3370647

IUPAC5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Cl)[nH]c2c(F)cc(Cl)cc12
InChIInChI=1S/C15H8Cl2FNO/c16-8-5-10-11(7-20)14(19-15(10)13(18)6-8)9-3-1-2-4-12(9)17/h1-7,19H
InChIKeyVFASJFUQTRKVAB-UHFFFAOYSA-N
MW308.14 g/mol
LogP5.09
Rot. Bonds2

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

5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde (PubChem CID 3370647) has the molecular formula C15H8Cl2FNO and a molecular weight of 308.14 g/mol. Its IUPAC name is 5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
PubChem CID3370647
Molecular FormulaC15H8Cl2FNO
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Cl)[nH]c2c(F)cc(Cl)cc12
InChIInChI=1S/C15H8Cl2FNO/c16-8-5-10-11(7-20)14(19-15(10)13(18)6-8)9-3-1-2-4-12(9)17/h1-7,19H
InChIKeyVFASJFUQTRKVAB-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-(3-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3730627
5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3844698
5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde
CID 123644436
5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
CID 3764399
2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
2-tert-butyl-5-chloro-7-fluoro-1H-indole-3-carbaldehyde
CID 3828991
2-(2-chlorophenyl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3712734
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 3460263
2-(2-chlorophenyl)-5-phenyl-1H-indole-3-carbaldehyde
CID 5188805
2-(2,5-dichlorothiophen-3-yl)-5,7-difluoro-1H-indole-3-carbaldehyde
CID 4519698
2-(2,5-dichlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3750935
2-(2-chlorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3826061

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde (CID 3370647) is 5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccccc2Cl)[nH]c2c(F)cc(Cl)cc12.
What is the InChIKey of 5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde?
The InChIKey is VFASJFUQTRKVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO/c16-8-5-10-11(7-20)14(19-15(10)13(18)6-8)9-3-1-2-4-12(9)17/h1-7,19H.
What are the key properties of 5-chloro-2-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde?
5-chloro-2-(2-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-(2-chlorophenyl)-7-fluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3370647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).