2,6,7-tribromo-3-chloro-1H-indole

C8H3Br3ClN — CID 127052411

IUPAC2,6,7-tribromo-3-chloro-1H-indole
SMILESClc1c(Br)[nH]c2c(Br)c(Br)ccc12
InChIInChI=1S/C8H3Br3ClN/c9-4-2-1-3-6(12)8(11)13-7(3)5(4)10/h1-2,13H
InChIKeyAUZGEJXQAGXZHC-UHFFFAOYSA-N
MW388.28 g/mol
LogP5.11
Rot. Bonds

About 2,6,7-tribromo-3-chloro-1H-indole

2,6,7-tribromo-3-chloro-1H-indole (PubChem CID 127052411) has the molecular formula C8H3Br3ClN and a molecular weight of 388.28 g/mol. Its IUPAC name is 2,6,7-tribromo-3-chloro-1H-indole.

Molecular Properties

Compound Name2,6,7-tribromo-3-chloro-1H-indole
PubChem CID127052411
Molecular FormulaC8H3Br3ClN
Molecular Weight388.28 g/mol
Exact Mass384.75
IUPAC Name2,6,7-tribromo-3-chloro-1H-indole
SMILESClc1c(Br)[nH]c2c(Br)c(Br)ccc12
InChIInChI=1S/C8H3Br3ClN/c9-4-2-1-3-6(12)8(11)13-7(3)5(4)10/h1-2,13H
InChIKeyAUZGEJXQAGXZHC-UHFFFAOYSA-N
XLogP5.11
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.28
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-tribromo-3-chloro-1H-indole?
The IUPAC name of 2,6,7-tribromo-3-chloro-1H-indole (CID 127052411) is 2,6,7-tribromo-3-chloro-1H-indole.
What is the SMILES notation for 2,6,7-tribromo-3-chloro-1H-indole?
The canonical SMILES for 2,6,7-tribromo-3-chloro-1H-indole is Clc1c(Br)[nH]c2c(Br)c(Br)ccc12.
What is the InChIKey of 2,6,7-tribromo-3-chloro-1H-indole?
The InChIKey is AUZGEJXQAGXZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br3ClN/c9-4-2-1-3-6(12)8(11)13-7(3)5(4)10/h1-2,13H.
What are the key properties of 2,6,7-tribromo-3-chloro-1H-indole?
2,6,7-tribromo-3-chloro-1H-indole has a molecular weight of 388.28 g/mol, XLogP of 5.11, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-tribromo-3-chloro-1H-indole is sourced from PubChem (CID 127052411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).