ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate

C10H9N3O4 — CID 12558381

IUPACethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C10H9N3O4/c1-2-17-10(14)8-6-12-5-7(13(15)16)3-4-9(12)11-8/h3-6H,2H2,1H3
InChIKeyXOXFLWMGZPJKAF-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.42
Rot. Bonds3

About ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 12558381) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID12558381
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Nameethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C10H9N3O4/c1-2-17-10(14)8-6-12-5-7(13(15)16)3-4-9(12)11-8/h3-6H,2H2,1H3
InChIKeyXOXFLWMGZPJKAF-UHFFFAOYSA-N
XLogP1.42
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate 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 ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate (CID 12558381) is ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is XOXFLWMGZPJKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-2-17-10(14)8-6-12-5-7(13(15)16)3-4-9(12)11-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 235.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 12558381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).