5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid

C8H8N2O3 — CID 53337821

IUPAC5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(=O)n2c1NCC2
InChIInChI=1S/C8H8N2O3/c11-6-2-1-5(8(12)13)7-9-3-4-10(6)7/h1-2,9H,3-4H2,(H,12,13)
InChIKeyGCVCGPPYESIYPU-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.03
Rot. Bonds1

About 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid

5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 53337821) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID53337821
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccc(=O)n2c1NCC2
InChIInChI=1S/C8H8N2O3/c11-6-2-1-5(8(12)13)7-9-3-4-10(6)7/h1-2,9H,3-4H2,(H,12,13)
InChIKeyGCVCGPPYESIYPU-UHFFFAOYSA-N
XLogP-0.03
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid (CID 53337821) is 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1ccc(=O)n2c1NCC2.
What is the InChIKey of 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is GCVCGPPYESIYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-6-2-1-5(8(12)13)7-9-3-4-10(6)7/h1-2,9H,3-4H2,(H,12,13).
What are the key properties of 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid?
5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 53337821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).