3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid

C8H5N3O4 — CID 71388947

IUPAC3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H5N3O4/c12-8(13)6-7(11(14)15)10-4-2-1-3-5(10)9-6/h1-4H,(H,12,13)
InChIKeyAALLYEKQMKRVGR-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.94
Rot. Bonds2

About 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid

3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 71388947) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID71388947
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H5N3O4/c12-8(13)6-7(11(14)15)10-4-2-1-3-5(10)9-6/h1-4H,(H,12,13)
InChIKeyAALLYEKQMKRVGR-UHFFFAOYSA-N
XLogP0.94
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid (CID 71388947) is 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is AALLYEKQMKRVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-8(13)6-7(11(14)15)10-4-2-1-3-5(10)9-6/h1-4H,(H,12,13).
What are the key properties of 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid?
3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 207.15 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 71388947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).