5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid

C12H9N3O3 — CID 82386599

IUPAC5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2c[nH]c3ccc(O)cc23)[nH]1
InChIInChI=1S/C12H9N3O3/c16-6-1-2-9-7(3-6)8(4-13-9)10-5-14-11(15-10)12(17)18/h1-5,13,16H,(H,14,15)(H,17,18)
InChIKeyYQFNGXHWGPOKLY-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.96
Rot. Bonds2

About 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid

5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid (PubChem CID 82386599) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid
PubChem CID82386599
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2c[nH]c3ccc(O)cc23)[nH]1
InChIInChI=1S/C12H9N3O3/c16-6-1-2-9-7(3-6)8(4-13-9)10-5-14-11(15-10)12(17)18/h1-5,13,16H,(H,14,15)(H,17,18)
InChIKeyYQFNGXHWGPOKLY-UHFFFAOYSA-N
XLogP1.96
TPSA102.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid (CID 82386599) is 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid is O=C(O)c1ncc(-c2c[nH]c3ccc(O)cc23)[nH]1.
What is the InChIKey of 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid?
The InChIKey is YQFNGXHWGPOKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-6-1-2-9-7(3-6)8(4-13-9)10-5-14-11(15-10)12(17)18/h1-5,13,16H,(H,14,15)(H,17,18).
What are the key properties of 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid?
5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 82386599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).