5-bromo-6-chloro-1,2,3-trimethylindole

C11H11BrClN — CID 84713394

IUPAC5-bromo-6-chloro-1,2,3-trimethylindole
SMILESCc1c(C)n(C)c2cc(Cl)c(Br)cc12
InChIInChI=1S/C11H11BrClN/c1-6-7(2)14(3)11-5-10(13)9(12)4-8(6)11/h4-5H,1-3H3
InChIKeyXFKLCUAKOFFPNZ-UHFFFAOYSA-N
MW272.57 g/mol
LogP4.21
Rot. Bonds

About 5-bromo-6-chloro-1,2,3-trimethylindole

5-bromo-6-chloro-1,2,3-trimethylindole (PubChem CID 84713394) has the molecular formula C11H11BrClN and a molecular weight of 272.57 g/mol. Its IUPAC name is 5-bromo-6-chloro-1,2,3-trimethylindole.

Molecular Properties

Compound Name5-bromo-6-chloro-1,2,3-trimethylindole
PubChem CID84713394
Molecular FormulaC11H11BrClN
Molecular Weight272.57 g/mol
Exact Mass270.98
IUPAC Name5-bromo-6-chloro-1,2,3-trimethylindole
SMILESCc1c(C)n(C)c2cc(Cl)c(Br)cc12
InChIInChI=1S/C11H11BrClN/c1-6-7(2)14(3)11-5-10(13)9(12)4-8(6)11/h4-5H,1-3H3
InChIKeyXFKLCUAKOFFPNZ-UHFFFAOYSA-N
XLogP4.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-1,2,3-trimethylindole?
The IUPAC name of 5-bromo-6-chloro-1,2,3-trimethylindole (CID 84713394) is 5-bromo-6-chloro-1,2,3-trimethylindole.
What is the SMILES notation for 5-bromo-6-chloro-1,2,3-trimethylindole?
The canonical SMILES for 5-bromo-6-chloro-1,2,3-trimethylindole is Cc1c(C)n(C)c2cc(Cl)c(Br)cc12.
What is the InChIKey of 5-bromo-6-chloro-1,2,3-trimethylindole?
The InChIKey is XFKLCUAKOFFPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN/c1-6-7(2)14(3)11-5-10(13)9(12)4-8(6)11/h4-5H,1-3H3.
What are the key properties of 5-bromo-6-chloro-1,2,3-trimethylindole?
5-bromo-6-chloro-1,2,3-trimethylindole has a molecular weight of 272.57 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-1,2,3-trimethylindole is sourced from PubChem (CID 84713394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).