3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C7H5NO4 — CID 91411314

IUPAC3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2occ(O)c2[nH]1
InChIInChI=1S/C7H5NO4/c9-4-2-12-5-1-3(7(10)11)8-6(4)5/h1-2,8-9H,(H,10,11)
InChIKeyHVFSNTWJSVUBRS-UHFFFAOYSA-N
MW167.12 g/mol
LogP1.16
Rot. Bonds1

About 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid

3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 91411314) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID91411314
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Name3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2occ(O)c2[nH]1
InChIInChI=1S/C7H5NO4/c9-4-2-12-5-1-3(7(10)11)8-6(4)5/h1-2,8-9H,(H,10,11)
InChIKeyHVFSNTWJSVUBRS-UHFFFAOYSA-N
XLogP1.16
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 66963304
3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 138007640
3-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44576721
3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44576723
3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid;ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 161174395
lithium;ethyl 3-(trifluoromethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate;3-(trifluoromethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid;hydroxide;hydrate
CID 159835780
ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648581
6-bromo-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylic acid
CID 115007536
5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
CID 115007388
propan-2-yl 3-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70885158
5-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8,10-tricarboxylic acid
CID 21392539
6-hydroxy-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 70289111

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 91411314) is 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2occ(O)c2[nH]1.
What is the InChIKey of 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is HVFSNTWJSVUBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4/c9-4-2-12-5-1-3(7(10)11)8-6(4)5/h1-2,8-9H,(H,10,11).
What are the key properties of 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 167.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 91411314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).