5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde

C15H9BrClNO — CID 3816566

IUPAC5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H9BrClNO/c16-10-3-6-14-12(7-10)13(8-19)15(18-14)9-1-4-11(17)5-2-9/h1-8,18H
InChIKeyKTKMCAIGSAFLPQ-UHFFFAOYSA-N
MW334.60 g/mol
LogP5.06
Rot. Bonds2

About 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde

5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde (PubChem CID 3816566) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde
PubChem CID3816566
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H9BrClNO/c16-10-3-6-14-12(7-10)13(8-19)15(18-14)9-1-4-11(17)5-2-9/h1-8,18H
InChIKeyKTKMCAIGSAFLPQ-UHFFFAOYSA-N
XLogP5.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.60
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde (CID 3816566) is 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde?
The InChIKey is KTKMCAIGSAFLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-10-3-6-14-12(7-10)13(8-19)15(18-14)9-1-4-11(17)5-2-9/h1-8,18H.
What are the key properties of 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde?
5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde has a molecular weight of 334.60 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chlorophenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3816566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).