1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid

C15H10NO4+ — CID 3511500

IUPAC1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid
SMILESO=C(O)c1ccc[n+](C2=C(O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H9NO4/c17-13-10-5-1-2-6-11(10)14(18)12(13)16-7-3-4-9(8-16)15(19)20/h1-8H,(H-,17,18,19,20)/p+1
InChIKeyHNEAVMPYKYBVHJ-UHFFFAOYSA-O
MW268.25 g/mol
LogP1.75
Rot. Bonds2

About 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid

1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid (PubChem CID 3511500) has the molecular formula C15H10NO4+ and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid
PubChem CID3511500
Molecular FormulaC15H10NO4+
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid
SMILESO=C(O)c1ccc[n+](C2=C(O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H9NO4/c17-13-10-5-1-2-6-11(10)14(18)12(13)16-7-3-4-9(8-16)15(19)20/h1-8H,(H-,17,18,19,20)/p+1
InChIKeyHNEAVMPYKYBVHJ-UHFFFAOYSA-O
XLogP1.75
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid?
The IUPAC name of 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid (CID 3511500) is 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid.
What is the SMILES notation for 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid?
The canonical SMILES for 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid is O=C(O)c1ccc[n+](C2=C(O)c3ccccc3C2=O)c1.
What is the InChIKey of 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid?
The InChIKey is HNEAVMPYKYBVHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H9NO4/c17-13-10-5-1-2-6-11(10)14(18)12(13)16-7-3-4-9(8-16)15(19)20/h1-8H,(H-,17,18,19,20)/p+1.
What are the key properties of 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid?
1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-oxoinden-2-yl)pyridin-1-ium-3-carboxylic acid is sourced from PubChem (CID 3511500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).