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

C11H6BrNO3 — CID 115007536

IUPAC6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2oc3cc(Br)ccc3c2[nH]1
InChIInChI=1S/C11H6BrNO3/c12-5-1-2-6-8(3-5)16-9-4-7(11(14)15)13-10(6)9/h1-4,13H,(H,14,15)
InChIKeyXWWRHHONYODPJD-UHFFFAOYSA-N
MW280.08 g/mol
LogP3.37
Rot. Bonds1

About 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid

6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 115007536) has the molecular formula C11H6BrNO3 and a molecular weight of 280.08 g/mol. Its IUPAC name is 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
PubChem CID115007536
Molecular FormulaC11H6BrNO3
Molecular Weight280.08 g/mol
Exact Mass278.95
IUPAC Name6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2oc3cc(Br)ccc3c2[nH]1
InChIInChI=1S/C11H6BrNO3/c12-5-1-2-6-8(3-5)16-9-4-7(11(14)15)13-10(6)9/h1-4,13H,(H,14,15)
InChIKeyXWWRHHONYODPJD-UHFFFAOYSA-N
XLogP3.37
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-10H-[1]benzofuro[3,2-b]indole
CID 162350952
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CID 71743436
7-bromodibenzofuran-3-carbaldehyde
CID 59412938
3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 91411314
2,6-dibromoanthracene-9,10-dicarboxylic acid
CID 141473473
7-bromodibenzofuran-3-carbonitrile;3,7-dibromodibenzofuran
CID 160842363
1,7-dibromodibenzofuran
CID 6427988
3-bromo-7-tert-butyldibenzofuran
CID 134401866
5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
CID 115007700
potassium 2-(7-bromodibenzofuran-3-yl)oxypropanoate
CID 157101066
2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid
CID 83665751
6-bromo-1-oxoisochromene-3-carboxylic acid
CID 114517449

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid (CID 115007536) is 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid is O=C(O)c1cc2oc3cc(Br)ccc3c2[nH]1.
What is the InChIKey of 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is XWWRHHONYODPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNO3/c12-5-1-2-6-8(3-5)16-9-4-7(11(14)15)13-10(6)9/h1-4,13H,(H,14,15).
What are the key properties of 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid?
6-bromo-1H-[1]benzofuro[3,2-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 6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 115007536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).