2-(5-bromo-1H-indol-3-yl)acetaldehyde

C10H8BrNO — CID 20623493

IUPAC2-(5-bromo-1H-indol-3-yl)acetaldehyde
SMILESO=CCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H8BrNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,4-6,12H,3H2
InChIKeyAPFWFTSCRBQMFP-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.67
Rot. Bonds2

About 2-(5-bromo-1H-indol-3-yl)acetaldehyde

2-(5-bromo-1H-indol-3-yl)acetaldehyde (PubChem CID 20623493) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)acetaldehyde
PubChem CID20623493
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name2-(5-bromo-1H-indol-3-yl)acetaldehyde
SMILESO=CCc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H8BrNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,4-6,12H,3H2
InChIKeyAPFWFTSCRBQMFP-UHFFFAOYSA-N
XLogP2.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-1H-indol-3-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
2-(5-propoxy-1H-indol-3-yl)acetaldehyde
CID 144631653
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
3-(5-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 58572126
2-(5-bromo-1H-indol-3-yl)-N,N-dimethylethanamine oxide
CID 53493869
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)acetaldehyde?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)acetaldehyde (CID 20623493) is 2-(5-bromo-1H-indol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)acetaldehyde is O=CCc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)acetaldehyde?
The InChIKey is APFWFTSCRBQMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,4-6,12H,3H2.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)acetaldehyde?
2-(5-bromo-1H-indol-3-yl)acetaldehyde has a molecular weight of 238.08 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)acetaldehyde is sourced from PubChem (CID 20623493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).