4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde

C11H10BrNO2 — CID 84712000

IUPAC4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde
SMILESCCc1[nH]c2ccc(O)c(Br)c2c1C=O
InChIInChI=1S/C11H10BrNO2/c1-2-7-6(5-14)10-8(13-7)3-4-9(15)11(10)12/h3-5,13,15H,2H2,1H3
InChIKeyDEPOPDXVRZNNSF-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.01
Rot. Bonds2

About 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde

4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde (PubChem CID 84712000) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde
PubChem CID84712000
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde
SMILESCCc1[nH]c2ccc(O)c(Br)c2c1C=O
InChIInChI=1S/C11H10BrNO2/c1-2-7-6(5-14)10-8(13-7)3-4-9(15)11(10)12/h3-5,13,15H,2H2,1H3
InChIKeyDEPOPDXVRZNNSF-UHFFFAOYSA-N
XLogP3.01
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-ethyl-5-hydroxy-1H-indole-3-carboxylic acid
CID 84701518
4-bromo-5-hydroxy-1H-indole-3-carbaldehyde
CID 84701719
7-bromo-2-ethyl-1H-indole-3-carbaldehyde
CID 84707557
2,3-dibromo-6-hydroxybenzaldehyde
CID 87379563
actinium;2-(hydroxymethyl)-5-methyl-4-nitro-1H-indole-3-carbaldehyde
CID 59074574
4-ethyl-2-methyl-1H-indole-3-carbaldehyde
CID 88756486
4-chloro-2-cyclopropyl-5-hydroxy-1H-indole-3-carbaldehyde
CID 84699097
ethyl 4-formyl-5-hydroxy-1H-indole-2-carboxylate
CID 11064318
2-(aminomethyl)-3-bromo-1H-indol-4-ol
CID 84702327
ethyl 4-formyl-5-hydroxy-1H-indole-2-carboxylate;4-formyl-5-hydroxy-1H-indole-2-carboxylic acid;methanol
CID 161379320
6-bromo-2,3-dihydroxybenzaldehyde
CID 818049
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride
CID 84814114

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde?
The IUPAC name of 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde (CID 84712000) is 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde is CCc1[nH]c2ccc(O)c(Br)c2c1C=O.
What is the InChIKey of 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde?
The InChIKey is DEPOPDXVRZNNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-2-7-6(5-14)10-8(13-7)3-4-9(15)11(10)12/h3-5,13,15H,2H2,1H3.
What are the key properties of 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde?
4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde has a molecular weight of 268.11 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 84712000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).