2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde

C10H6INO2 — CID 175236891

IUPAC2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1c[nH]c2cccc(I)c12
InChIInChI=1S/C10H6INO2/c11-7-2-1-3-8-10(7)6(4-12-8)9(14)5-13/h1-5,12H
InChIKeyAZSOXEAUOUZPGE-UHFFFAOYSA-N
MW299.07 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde

2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde (PubChem CID 175236891) has the molecular formula C10H6INO2 and a molecular weight of 299.07 g/mol. Its IUPAC name is 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde
PubChem CID175236891
Molecular FormulaC10H6INO2
Molecular Weight299.07 g/mol
Exact Mass298.94
IUPAC Name2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1c[nH]c2cccc(I)c12
InChIInChI=1S/C10H6INO2/c11-7-2-1-3-8-10(7)6(4-12-8)9(14)5-13/h1-5,12H
InChIKeyAZSOXEAUOUZPGE-UHFFFAOYSA-N
XLogP2.15
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.07
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
4-iodo-3-methyl-1H-indole
CID 126755505
4-fluoro-N-methyl-3-oxaldehydoyl-1H-indole-7-carboxamide
CID 142845128
(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 82793082
benzyl N-[2-(4-iodo-1H-indol-3-yl)-2-oxoethyl]carbamate
CID 11102117
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
(4-hydroxy-1H-indol-3-yl)-(3,4,5-trihydroxyphenyl)methanone
CID 155516110
2-(5,6-dimethyl-1H-indol-3-yl)-2-oxoacetaldehyde
CID 174428230
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde (CID 175236891) is 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde is O=CC(=O)c1c[nH]c2cccc(I)c12.
What is the InChIKey of 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde?
The InChIKey is AZSOXEAUOUZPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6INO2/c11-7-2-1-3-8-10(7)6(4-12-8)9(14)5-13/h1-5,12H.
What are the key properties of 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde?
2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde has a molecular weight of 299.07 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 175236891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).