6,7-dibromo-2,3-dichloro-1H-indole

C8H3Br2Cl2N — CID 127049926

IUPAC6,7-dibromo-2,3-dichloro-1H-indole
SMILESClc1[nH]c2c(Br)c(Br)ccc2c1Cl
InChIInChI=1S/C8H3Br2Cl2N/c9-4-2-1-3-6(11)8(12)13-7(3)5(4)10/h1-2,13H
InChIKeyYTSGJJRZBJFUES-UHFFFAOYSA-N
MW343.83 g/mol
LogP5.00
Rot. Bonds

About 6,7-dibromo-2,3-dichloro-1H-indole

6,7-dibromo-2,3-dichloro-1H-indole (PubChem CID 127049926) has the molecular formula C8H3Br2Cl2N and a molecular weight of 343.83 g/mol. Its IUPAC name is 6,7-dibromo-2,3-dichloro-1H-indole.

Molecular Properties

Compound Name6,7-dibromo-2,3-dichloro-1H-indole
PubChem CID127049926
Molecular FormulaC8H3Br2Cl2N
Molecular Weight343.83 g/mol
Exact Mass340.80
IUPAC Name6,7-dibromo-2,3-dichloro-1H-indole
SMILESClc1[nH]c2c(Br)c(Br)ccc2c1Cl
InChIInChI=1S/C8H3Br2Cl2N/c9-4-2-1-3-6(11)8(12)13-7(3)5(4)10/h1-2,13H
InChIKeyYTSGJJRZBJFUES-UHFFFAOYSA-N
XLogP5.00
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-2,3-dichloro-1H-indole?
The IUPAC name of 6,7-dibromo-2,3-dichloro-1H-indole (CID 127049926) is 6,7-dibromo-2,3-dichloro-1H-indole.
What is the SMILES notation for 6,7-dibromo-2,3-dichloro-1H-indole?
The canonical SMILES for 6,7-dibromo-2,3-dichloro-1H-indole is Clc1[nH]c2c(Br)c(Br)ccc2c1Cl.
What is the InChIKey of 6,7-dibromo-2,3-dichloro-1H-indole?
The InChIKey is YTSGJJRZBJFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2Cl2N/c9-4-2-1-3-6(11)8(12)13-7(3)5(4)10/h1-2,13H.
What are the key properties of 6,7-dibromo-2,3-dichloro-1H-indole?
6,7-dibromo-2,3-dichloro-1H-indole has a molecular weight of 343.83 g/mol, XLogP of 5.00, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-2,3-dichloro-1H-indole is sourced from PubChem (CID 127049926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).