2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid

C10H9N3O4 — CID 83841737

IUPAC2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cn2c1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O4/c1-2-7-9(13(16)17)12-5-6(10(14)15)3-4-8(12)11-7/h3-5H,2H2,1H3,(H,14,15)
InChIKeyNWPLNEAGJSJXNW-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.50
Rot. Bonds3

About 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid

2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 83841737) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID83841737
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cn2c1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O4/c1-2-7-9(13(16)17)12-5-6(10(14)15)3-4-8(12)11-7/h3-5H,2H2,1H3,(H,14,15)
InChIKeyNWPLNEAGJSJXNW-UHFFFAOYSA-N
XLogP1.50
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.50
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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Related Compounds

2-ethyl-3-nitroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 83841739
3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83833604
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
3-ethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 62651900
3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 65207378
2-ethyl-3-nitroimidazo[1,2-a]pyrimidin-6-amine
CID 83833639
3-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356036
3-pentyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62387950
3-heptyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 55068173
3-octyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 65427572
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 165478989
3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid
CID 82356691

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid (CID 83841737) is 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid is CCc1nc2ccc(C(=O)O)cn2c1[N+](=O)[O-].
What is the InChIKey of 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is NWPLNEAGJSJXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-2-7-9(13(16)17)12-5-6(10(14)15)3-4-8(12)11-7/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid?
2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-nitroimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 83841737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).