2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid

C13H9NO4 — CID 82386613

IUPAC2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1-c1cc2c(O)cccc2[nH]1
InChIInChI=1S/C13H9NO4/c15-11-3-1-2-9-8(11)6-10(14-9)12-7(13(16)17)4-5-18-12/h1-6,14-15H,(H,16,17)
InChIKeyZPOHYJVNPBPGFO-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.83
Rot. Bonds2

About 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid

2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid (PubChem CID 82386613) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid
PubChem CID82386613
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1-c1cc2c(O)cccc2[nH]1
InChIInChI=1S/C13H9NO4/c15-11-3-1-2-9-8(11)6-10(14-9)12-7(13(16)17)4-5-18-12/h1-6,14-15H,(H,16,17)
InChIKeyZPOHYJVNPBPGFO-UHFFFAOYSA-N
XLogP2.83
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid
CID 82387630
2-(4-amino-1,2-oxazol-5-yl)-1H-indol-4-ol
CID 137016964
6-(4-hydroxy-1H-indol-2-yl)pyridine-3-carboxylic acid
CID 136986560
4-hydroxy-N-methyl-1H-indole-2-carboxamide
CID 130007884
2-[10,15,20-tris(3-carboxyfuran-2-yl)-21,23-dihydroporphyrin-5-yl]furan-3-carboxylic acid
CID 135697201
2-(cyclopenten-1-yl)-1H-indol-4-ol
CID 67273711
2-(3-methylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63030741
3-(4-hydroxy-1H-indol-2-yl)-3-oxopropanenitrile
CID 118486651
2-(4-hydroxy-1H-indol-2-yl)acetamide
CID 139709684
3-hydroxy-9H-carbazole-1-carboxylic acid
CID 154084192
5-(4-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
CID 136986503
3-(4-methoxy-1H-indol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136985700

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid?
The IUPAC name of 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid (CID 82386613) is 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid?
The canonical SMILES for 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid is O=C(O)c1ccoc1-c1cc2c(O)cccc2[nH]1.
What is the InChIKey of 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid?
The InChIKey is ZPOHYJVNPBPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-11-3-1-2-9-8(11)6-10(14-9)12-7(13(16)17)4-5-18-12/h1-6,14-15H,(H,16,17).
What are the key properties of 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid?
2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1H-indol-2-yl)furan-3-carboxylic acid is sourced from PubChem (CID 82386613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).