ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate

C11H10N4O6 — CID 12558375

IUPACethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C)c([N+](=O)[O-])n2c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O6/c1-3-21-11(16)8-10(15(19)20)13-7(12-8)5-4-6(2)9(13)14(17)18/h4-5H,3H2,1-2H3
InChIKeyQAYXFVWDEQOJKL-UHFFFAOYSA-N
MW294.22 g/mol
LogP1.64
Rot. Bonds4

About ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 12558375) has the molecular formula C11H10N4O6 and a molecular weight of 294.22 g/mol. Its IUPAC name is ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID12558375
Molecular FormulaC11H10N4O6
Molecular Weight294.22 g/mol
Exact Mass294.06
IUPAC Nameethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C)c([N+](=O)[O-])n2c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O6/c1-3-21-11(16)8-10(15(19)20)13-7(12-8)5-4-6(2)9(13)14(17)18/h4-5H,3H2,1-2H3
InChIKeyQAYXFVWDEQOJKL-UHFFFAOYSA-N
XLogP1.64
TPSA129.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 82343002
ethyl 8-[acetyl(nitroso)amino]-7-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 14761428
ethyl 3-hydroxy-4-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680855
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 3-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134670408
diethyl 6-methyl-5-nitropyridine-2,3-dicarboxylate
CID 18937855
ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate
CID 121229225
ethyl 3-(difluoromethyl)-5-methyl-6-nitropyridine-2-carboxylate
CID 133098678
ethyl 6-(difluoromethyl)-5-methyl-3-nitropyridine-2-carboxylate
CID 133099278
ethyl 3-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668250
ethyl 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663365

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate (CID 12558375) is ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(C)c([N+](=O)[O-])n2c1[N+](=O)[O-].
What is the InChIKey of ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QAYXFVWDEQOJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O6/c1-3-21-11(16)8-10(15(19)20)13-7(12-8)5-4-6(2)9(13)14(17)18/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 294.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 12558375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).