(6,7-diiodo-1H-indol-3-yl) acetate

C10H7I2NO2 — CID 150928331

IUPAC(6,7-diiodo-1H-indol-3-yl) acetate
SMILESCC(=O)Oc1c[nH]c2c(I)c(I)ccc12
InChIInChI=1S/C10H7I2NO2/c1-5(14)15-8-4-13-10-6(8)2-3-7(11)9(10)12/h2-4,13H,1H3
InChIKeyLFMHHLPHIQUKRO-UHFFFAOYSA-N
MW426.98 g/mol
LogP3.30
Rot. Bonds1

About (6,7-diiodo-1H-indol-3-yl) acetate

(6,7-diiodo-1H-indol-3-yl) acetate (PubChem CID 150928331) has the molecular formula C10H7I2NO2 and a molecular weight of 426.98 g/mol. Its IUPAC name is (6,7-diiodo-1H-indol-3-yl) acetate.

Molecular Properties

Compound Name(6,7-diiodo-1H-indol-3-yl) acetate
PubChem CID150928331
Molecular FormulaC10H7I2NO2
Molecular Weight426.98 g/mol
Exact Mass426.86
IUPAC Name(6,7-diiodo-1H-indol-3-yl) acetate
SMILESCC(=O)Oc1c[nH]c2c(I)c(I)ccc12
InChIInChI=1S/C10H7I2NO2/c1-5(14)15-8-4-13-10-6(8)2-3-7(11)9(10)12/h2-4,13H,1H3
InChIKeyLFMHHLPHIQUKRO-UHFFFAOYSA-N
XLogP3.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.98
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
(5-iodoisoquinolin-8-yl) acetate
CID 91621546
[7-(4-acetyloxy-1H-indol-7-yl)-1H-indol-4-yl] acetate
CID 14531809
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
(2-acetyloxy-3-iodo-4-methoxyphenyl) acetate
CID 66651996
(3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate
CID 177370355
(2-iodo-5-nitrophenyl) acetate
CID 11347338
(6-chloro-3-iodo-2-pyridinyl) acetate
CID 154051084
(2-iodo-4,5-dimethoxyphenyl) acetate
CID 171366364
(4-iodo-1H-indol-6-yl) acetate
CID 174498994
(7-bromo-1H-indol-3-yl) carbamate
CID 175391103
[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521

Frequently Asked Questions

What is the IUPAC name of (6,7-diiodo-1H-indol-3-yl) acetate?
The IUPAC name of (6,7-diiodo-1H-indol-3-yl) acetate (CID 150928331) is (6,7-diiodo-1H-indol-3-yl) acetate.
What is the SMILES notation for (6,7-diiodo-1H-indol-3-yl) acetate?
The canonical SMILES for (6,7-diiodo-1H-indol-3-yl) acetate is CC(=O)Oc1c[nH]c2c(I)c(I)ccc12.
What is the InChIKey of (6,7-diiodo-1H-indol-3-yl) acetate?
The InChIKey is LFMHHLPHIQUKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7I2NO2/c1-5(14)15-8-4-13-10-6(8)2-3-7(11)9(10)12/h2-4,13H,1H3.
What are the key properties of (6,7-diiodo-1H-indol-3-yl) acetate?
(6,7-diiodo-1H-indol-3-yl) acetate has a molecular weight of 426.98 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-diiodo-1H-indol-3-yl) acetate is sourced from PubChem (CID 150928331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).