4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid

C12H9N3O3 — CID 82386557

IUPAC4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1cc2cccc(O)c2[nH]1
InChIInChI=1S/C12H9N3O3/c16-8-3-1-2-6-4-7(15-9(6)8)10-11(12(17)18)14-5-13-10/h1-5,15-16H,(H,13,14)(H,17,18)
InChIKeyPUZCKRYZZRSAGL-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.96
Rot. Bonds2

About 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid

4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 82386557) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid
PubChem CID82386557
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1cc2cccc(O)c2[nH]1
InChIInChI=1S/C12H9N3O3/c16-8-3-1-2-6-4-7(15-9(6)8)10-11(12(17)18)14-5-13-10/h1-5,15-16H,(H,13,14)(H,17,18)
InChIKeyPUZCKRYZZRSAGL-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 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid (CID 82386557) is 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1-c1cc2cccc(O)c2[nH]1.
What is the InChIKey of 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is PUZCKRYZZRSAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-8-3-1-2-6-4-7(15-9(6)8)10-11(12(17)18)14-5-13-10/h1-5,15-16H,(H,13,14)(H,17,18).
What are the key properties of 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid?
4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-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 4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82386557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).