7-bromo-2,3-dichloro-6-iodo-1H-indole

C8H3BrCl2IN — CID 127052412

IUPAC7-bromo-2,3-dichloro-6-iodo-1H-indole
SMILESClc1[nH]c2c(Br)c(I)ccc2c1Cl
InChIInChI=1S/C8H3BrCl2IN/c9-5-4(12)2-1-3-6(10)8(11)13-7(3)5/h1-2,13H
InChIKeyRNPGWXSZZGFGFB-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.84
Rot. Bonds

About 7-bromo-2,3-dichloro-6-iodo-1H-indole

7-bromo-2,3-dichloro-6-iodo-1H-indole (PubChem CID 127052412) has the molecular formula C8H3BrCl2IN and a molecular weight of 390.83 g/mol. Its IUPAC name is 7-bromo-2,3-dichloro-6-iodo-1H-indole.

Molecular Properties

Compound Name7-bromo-2,3-dichloro-6-iodo-1H-indole
PubChem CID127052412
Molecular FormulaC8H3BrCl2IN
Molecular Weight390.83 g/mol
Exact Mass388.79
IUPAC Name7-bromo-2,3-dichloro-6-iodo-1H-indole
SMILESClc1[nH]c2c(Br)c(I)ccc2c1Cl
InChIInChI=1S/C8H3BrCl2IN/c9-5-4(12)2-1-3-6(10)8(11)13-7(3)5/h1-2,13H
InChIKeyRNPGWXSZZGFGFB-UHFFFAOYSA-N
XLogP4.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dichloro-6-iodo-1H-indole?
The IUPAC name of 7-bromo-2,3-dichloro-6-iodo-1H-indole (CID 127052412) is 7-bromo-2,3-dichloro-6-iodo-1H-indole.
What is the SMILES notation for 7-bromo-2,3-dichloro-6-iodo-1H-indole?
The canonical SMILES for 7-bromo-2,3-dichloro-6-iodo-1H-indole is Clc1[nH]c2c(Br)c(I)ccc2c1Cl.
What is the InChIKey of 7-bromo-2,3-dichloro-6-iodo-1H-indole?
The InChIKey is RNPGWXSZZGFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2IN/c9-5-4(12)2-1-3-6(10)8(11)13-7(3)5/h1-2,13H.
What are the key properties of 7-bromo-2,3-dichloro-6-iodo-1H-indole?
7-bromo-2,3-dichloro-6-iodo-1H-indole has a molecular weight of 390.83 g/mol, XLogP of 4.84, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dichloro-6-iodo-1H-indole is sourced from PubChem (CID 127052412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).