2-bromopyrrolo[2,3-e]indole

C10H5BrN2 — CID 138392253

IUPAC2-bromopyrrolo[2,3-e]indole
SMILESBrC1=Nc2c3c(ccc2=C1)=NC=C3
InChIInChI=1S/C10H5BrN2/c11-9-5-6-1-2-8-7(3-4-12-8)10(6)13-9/h1-5H
InChIKeyDJFCOAFMGQTPJO-UHFFFAOYSA-N
MW233.07 g/mol
LogP1.51
Rot. Bonds

About 2-bromopyrrolo[2,3-e]indole

2-bromopyrrolo[2,3-e]indole (PubChem CID 138392253) has the molecular formula C10H5BrN2 and a molecular weight of 233.07 g/mol. Its IUPAC name is 2-bromopyrrolo[2,3-e]indole.

Molecular Properties

Compound Name2-bromopyrrolo[2,3-e]indole
PubChem CID138392253
Molecular FormulaC10H5BrN2
Molecular Weight233.07 g/mol
Exact Mass231.96
IUPAC Name2-bromopyrrolo[2,3-e]indole
SMILESBrC1=Nc2c3c(ccc2=C1)=NC=C3
InChIInChI=1S/C10H5BrN2/c11-9-5-6-1-2-8-7(3-4-12-8)10(6)13-9/h1-5H
InChIKeyDJFCOAFMGQTPJO-UHFFFAOYSA-N
XLogP1.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyrrolo[2,3-e]indole?
The IUPAC name of 2-bromopyrrolo[2,3-e]indole (CID 138392253) is 2-bromopyrrolo[2,3-e]indole.
What is the SMILES notation for 2-bromopyrrolo[2,3-e]indole?
The canonical SMILES for 2-bromopyrrolo[2,3-e]indole is BrC1=Nc2c3c(ccc2=C1)=NC=C3.
What is the InChIKey of 2-bromopyrrolo[2,3-e]indole?
The InChIKey is DJFCOAFMGQTPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2/c11-9-5-6-1-2-8-7(3-4-12-8)10(6)13-9/h1-5H.
What are the key properties of 2-bromopyrrolo[2,3-e]indole?
2-bromopyrrolo[2,3-e]indole has a molecular weight of 233.07 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyrrolo[2,3-e]indole is sourced from PubChem (CID 138392253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).