6-hydroxy-2H-indole-3-carboxylic acid

C9H7NO3 — CID 151759824

IUPAC6-hydroxy-2H-indole-3-carboxylic acid
SMILESO=C(O)C1=c2ccc(O)cc2=NC1
InChIInChI=1S/C9H7NO3/c11-5-1-2-6-7(9(12)13)4-10-8(6)3-5/h1-3,11H,4H2,(H,12,13)
InChIKeyUAVXLXYCHAOQQB-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.74
Rot. Bonds1

About 6-hydroxy-2H-indole-3-carboxylic acid

6-hydroxy-2H-indole-3-carboxylic acid (PubChem CID 151759824) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-hydroxy-2H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2H-indole-3-carboxylic acid
PubChem CID151759824
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name6-hydroxy-2H-indole-3-carboxylic acid
SMILESO=C(O)C1=c2ccc(O)cc2=NC1
InChIInChI=1S/C9H7NO3/c11-5-1-2-6-7(9(12)13)4-10-8(6)3-5/h1-3,11H,4H2,(H,12,13)
InChIKeyUAVXLXYCHAOQQB-UHFFFAOYSA-N
XLogP-0.74
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2H-indole-3-carboxylic acid?
The IUPAC name of 6-hydroxy-2H-indole-3-carboxylic acid (CID 151759824) is 6-hydroxy-2H-indole-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2H-indole-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-2H-indole-3-carboxylic acid is O=C(O)C1=c2ccc(O)cc2=NC1.
What is the InChIKey of 6-hydroxy-2H-indole-3-carboxylic acid?
The InChIKey is UAVXLXYCHAOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-5-1-2-6-7(9(12)13)4-10-8(6)3-5/h1-3,11H,4H2,(H,12,13).
What are the key properties of 6-hydroxy-2H-indole-3-carboxylic acid?
6-hydroxy-2H-indole-3-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2H-indole-3-carboxylic acid is sourced from PubChem (CID 151759824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).