5-bromo-2-phenyl-1H-indole-3-carbaldehyde

C15H10BrNO — CID 3796870

IUPAC5-bromo-2-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H10BrNO/c16-11-6-7-14-12(8-11)13(9-18)15(17-14)10-4-2-1-3-5-10/h1-9,17H
InChIKeyCBSRNZLMSPUCLQ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.41
Rot. Bonds2

About 5-bromo-2-phenyl-1H-indole-3-carbaldehyde

5-bromo-2-phenyl-1H-indole-3-carbaldehyde (PubChem CID 3796870) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-2-phenyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-phenyl-1H-indole-3-carbaldehyde
PubChem CID3796870
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name5-bromo-2-phenyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H10BrNO/c16-11-6-7-14-12(8-11)13(9-18)15(17-14)10-4-2-1-3-5-10/h1-9,17H
InChIKeyCBSRNZLMSPUCLQ-UHFFFAOYSA-N
XLogP4.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.41
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-phenyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-bromo-2-phenyl-1H-indole-3-carbaldehyde (CID 3796870) is 5-bromo-2-phenyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-phenyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-phenyl-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccccc2)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-2-phenyl-1H-indole-3-carbaldehyde?
The InChIKey is CBSRNZLMSPUCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-11-6-7-14-12(8-11)13(9-18)15(17-14)10-4-2-1-3-5-10/h1-9,17H.
What are the key properties of 5-bromo-2-phenyl-1H-indole-3-carbaldehyde?
5-bromo-2-phenyl-1H-indole-3-carbaldehyde has a molecular weight of 300.16 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3796870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).