ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate

C10H9N3O4 — CID 11736475

IUPACethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O4/c1-2-17-10(14)8-9(13(15)16)12-6-4-3-5-7(12)11-8/h3-6H,2H2,1H3
InChIKeyMYRXPQNHKXKXMD-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.42
Rot. Bonds3

About ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 11736475) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID11736475
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Nameethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O4/c1-2-17-10(14)8-9(13(15)16)12-6-4-3-5-7(12)11-8/h3-6H,2H2,1H3
InChIKeyMYRXPQNHKXKXMD-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'}

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
Ethyl 3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 10567382
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 718831
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
3-Aminoimidazo[1,2-A]pyridine-2-carboxylic acid
CID 76326129
3-Nitroimidazo[1,2-a]pyridine-2-carboxamide
CID 325416

Frequently Asked Questions

What is the IUPAC name of ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate (CID 11736475) is ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is MYRXPQNHKXKXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-2-17-10(14)8-9(13(15)16)12-6-4-3-5-7(12)11-8/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-nitroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-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 3-nitroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 11736475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).