5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid

Name: 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₆BrNO₃ — CID 115007700

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid

SMILESO=C(O)c1cc2c([nH]1)oc1c(Br)cccc12

InChIInChI=1S/C11H6BrNO3/c12-7-3-1-2-5-6-4-8(11(14)15)13-10(6)16-9(5)7/h1-4,13H,(H,14,15)

InChIKeyZZNTYTIPABSDOJ-UHFFFAOYSA-N

MW280.08 g/mol

LogP3.37

Rot. Bonds1

About 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid

5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid (PubChem CID 115007700) has the molecular formula C₁₁H₆BrNO₃ and a molecular weight of 280.08 g/mol. Its IUPAC name is 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name	5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
PubChem CID	115007700
Molecular Formula	C₁₁H₆BrNO₃
Molecular Weight	280.08 g/mol
Exact Mass	278.95
IUPAC Name	5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
SMILES	O=C(O)c1cc2c([nH]1)oc1c(Br)cccc12
InChI	InChI=1S/C11H6BrNO3/c12-7-3-1-2-5-6-4-8(11(14)15)13-10(6)16-9(5)7/h1-4,13H,(H,14,15)
InChIKey	ZZNTYTIPABSDOJ-UHFFFAOYSA-N
XLogP	3.37
TPSA	66.23 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.08
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid?

The IUPAC name of 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid (CID 115007700) is 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid.

What is the SMILES notation for 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid?

The canonical SMILES for 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid is O=C(O)c1cc2c([nH]1)oc1c(Br)cccc12.

What is the InChIKey of 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid?

The InChIKey is ZZNTYTIPABSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNO3/c12-7-3-1-2-5-6-4-8(11(14)15)13-10(6)16-9(5)7/h1-4,13H,(H,14,15).

What are the key properties of 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid?

5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid has a molecular weight of 280.08 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 115007700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115007700 — identifiers, structure, computed properties (public domain)

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