7-bromo-2-ethyl-1H-indole-3-carbaldehyde

C11H10BrNO — CID 84707557

IUPAC7-bromo-2-ethyl-1H-indole-3-carbaldehyde
SMILESCCc1[nH]c2c(Br)cccc2c1C=O
InChIInChI=1S/C11H10BrNO/c1-2-10-8(6-14)7-4-3-5-9(12)11(7)13-10/h3-6,13H,2H2,1H3
InChIKeyJLUMVXVFPAVNDM-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.31
Rot. Bonds2

About 7-bromo-2-ethyl-1H-indole-3-carbaldehyde

7-bromo-2-ethyl-1H-indole-3-carbaldehyde (PubChem CID 84707557) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 7-bromo-2-ethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-ethyl-1H-indole-3-carbaldehyde
PubChem CID84707557
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name7-bromo-2-ethyl-1H-indole-3-carbaldehyde
SMILESCCc1[nH]c2c(Br)cccc2c1C=O
InChIInChI=1S/C11H10BrNO/c1-2-10-8(6-14)7-4-3-5-9(12)11(7)13-10/h3-6,13H,2H2,1H3
InChIKeyJLUMVXVFPAVNDM-UHFFFAOYSA-N
XLogP3.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.31
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 7-bromo-2-ethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 7-bromo-2-ethyl-1H-indole-3-carbaldehyde (CID 84707557) is 7-bromo-2-ethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-bromo-2-ethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-bromo-2-ethyl-1H-indole-3-carbaldehyde is CCc1[nH]c2c(Br)cccc2c1C=O.
What is the InChIKey of 7-bromo-2-ethyl-1H-indole-3-carbaldehyde?
The InChIKey is JLUMVXVFPAVNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-2-10-8(6-14)7-4-3-5-9(12)11(7)13-10/h3-6,13H,2H2,1H3.
What are the key properties of 7-bromo-2-ethyl-1H-indole-3-carbaldehyde?
7-bromo-2-ethyl-1H-indole-3-carbaldehyde has a molecular weight of 252.11 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 84707557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).