2-(4-bromo-1H-indol-3-yl)acetaldehyde

C10H8BrNO — CID 117194859

IUPAC2-(4-bromo-1H-indol-3-yl)acetaldehyde
SMILESO=CCc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C10H8BrNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,5-6,12H,4H2
InChIKeyKJNFUMMBZDMUDE-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.67
Rot. Bonds2

About 2-(4-bromo-1H-indol-3-yl)acetaldehyde

2-(4-bromo-1H-indol-3-yl)acetaldehyde (PubChem CID 117194859) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 2-(4-bromo-1H-indol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-1H-indol-3-yl)acetaldehyde
PubChem CID117194859
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name2-(4-bromo-1H-indol-3-yl)acetaldehyde
SMILESO=CCc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C10H8BrNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,5-6,12H,4H2
InChIKeyKJNFUMMBZDMUDE-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'}

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Related Compounds

2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
3-(4-bromo-1H-indol-3-yl)propanoic acid
CID 28806342
4-bromo-3-[3-(4-bromo-1H-indol-3-yl)-2-nitropropyl]-1H-indole
CID 164612195
4-bromo-3-methyl-1H-indole
CID 52987704
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493
4-bromo-3-fluoro-1H-indole
CID 66817286
4-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
CID 134502321
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
N-[(4-bromo-1H-indol-3-yl)methyl]-4-methylbenzenesulfonamide
CID 169029436
4-bromo-3-(3-chloroprop-1-enyl)-1H-indole
CID 169478592
4-bromo-3-(2-ethylphenyl)sulfanyl-1H-indole
CID 91609343
(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine
CID 137262829

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-indol-3-yl)acetaldehyde?
The IUPAC name of 2-(4-bromo-1H-indol-3-yl)acetaldehyde (CID 117194859) is 2-(4-bromo-1H-indol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-1H-indol-3-yl)acetaldehyde?
The canonical SMILES for 2-(4-bromo-1H-indol-3-yl)acetaldehyde is O=CCc1c[nH]c2cccc(Br)c12.
What is the InChIKey of 2-(4-bromo-1H-indol-3-yl)acetaldehyde?
The InChIKey is KJNFUMMBZDMUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,5-6,12H,4H2.
What are the key properties of 2-(4-bromo-1H-indol-3-yl)acetaldehyde?
2-(4-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-(4-bromo-1H-indol-3-yl)acetaldehyde is sourced from PubChem (CID 117194859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).