6-hydroxy-1H-indole-2-carboxylic acid

C9H7NO3 — CID 22350191

IUPAC6-hydroxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C9H7NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h1-4,10-11H,(H,12,13)
InChIKeyHJUFFOMJRAXIRF-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.57
Rot. Bonds1

About 6-hydroxy-1H-indole-2-carboxylic acid

6-hydroxy-1H-indole-2-carboxylic acid (PubChem CID 22350191) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-hydroxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1H-indole-2-carboxylic acid
PubChem CID22350191
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name6-hydroxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C9H7NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h1-4,10-11H,(H,12,13)
InChIKeyHJUFFOMJRAXIRF-UHFFFAOYSA-N
XLogP1.57
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1H-indole-2-carboxylic acid?
The IUPAC name of 6-hydroxy-1H-indole-2-carboxylic acid (CID 22350191) is 6-hydroxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-1H-indole-2-carboxylic acid is O=C(O)c1cc2ccc(O)cc2[nH]1.
What is the InChIKey of 6-hydroxy-1H-indole-2-carboxylic acid?
The InChIKey is HJUFFOMJRAXIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h1-4,10-11H,(H,12,13).
What are the key properties of 6-hydroxy-1H-indole-2-carboxylic acid?
6-hydroxy-1H-indole-2-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 22350191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).