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

C11H6BrNO3 — CID 115007700

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 Name5-bromo-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
PubChem CID115007700
Molecular FormulaC11H6BrNO3
Molecular Weight280.08 g/mol
Exact Mass278.95
IUPAC Name5-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
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

5-bromo-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
CID 115007701
7-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
CID 115007780
5-chloro-4H-furo[2,3-b]indole-2-carboxylic acid
CID 96595111
1,2,3,6-tetrabromodibenzofuran
CID 526230
8-bromo-2-sulfanylchromen-4-one
CID 156876199
2-(5-bromo-9-oxoxanthen-3-yl)acetic acid
CID 174550643
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
CID 115007536
4-bromo-N,N-dimethyl-1H-indole-2-carboxamide
CID 66897930
4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239
6-bromo-2-oxobenzo[h]chromene-3-carboxylic acid
CID 918806
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602

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).