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

C9H7NO3 — CID 124517541

IUPAC5-hydroxy-2H-indole-3-carboxylic acid
SMILESO=C(O)C1=c2cc(O)ccc2=NC1
InChIInChI=1S/C9H7NO3/c11-5-1-2-8-6(3-5)7(4-10-8)9(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyUPNFBHHWSAVTRM-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.74
Rot. Bonds1

About 5-hydroxy-2H-indole-3-carboxylic acid

5-hydroxy-2H-indole-3-carboxylic acid (PubChem CID 124517541) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-hydroxy-2H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2H-indole-3-carboxylic acid
PubChem CID124517541
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name5-hydroxy-2H-indole-3-carboxylic acid
SMILESO=C(O)C1=c2cc(O)ccc2=NC1
InChIInChI=1S/C9H7NO3/c11-5-1-2-8-6(3-5)7(4-10-8)9(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyUPNFBHHWSAVTRM-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 5-hydroxy-2H-indole-3-carboxylic acid?
The IUPAC name of 5-hydroxy-2H-indole-3-carboxylic acid (CID 124517541) is 5-hydroxy-2H-indole-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2H-indole-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-2H-indole-3-carboxylic acid is O=C(O)C1=c2cc(O)ccc2=NC1.
What is the InChIKey of 5-hydroxy-2H-indole-3-carboxylic acid?
The InChIKey is UPNFBHHWSAVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-5-1-2-8-6(3-5)7(4-10-8)9(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of 5-hydroxy-2H-indole-3-carboxylic acid?
5-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 5-hydroxy-2H-indole-3-carboxylic acid is sourced from PubChem (CID 124517541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).