ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate

C12H12N4O4 — CID 4107103

IUPACethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCCOC(=O)C(=NOC)c1nc2ccccn2c1N=O
InChIInChI=1S/C12H12N4O4/c1-3-20-12(17)10(15-19-2)9-11(14-18)16-7-5-4-6-8(16)13-9/h4-7H,3H2,1-2H3
InChIKeyXSKRWGKJGHHRJQ-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.65
Rot. Bonds5

About ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate

ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate (PubChem CID 4107103) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate
PubChem CID4107103
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCCOC(=O)C(=NOC)c1nc2ccccn2c1N=O
InChIInChI=1S/C12H12N4O4/c1-3-20-12(17)10(15-19-2)9-11(14-18)16-7-5-4-6-8(16)13-9/h4-7H,3H2,1-2H3
InChIKeyXSKRWGKJGHHRJQ-UHFFFAOYSA-N
XLogP1.65
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate
CID 6379244
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
ethyl (2Z)-2-(3-acetyloxynaphthalen-2-yl)-2-methoxyiminoacetate
CID 56600076
2-amino-1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84661951
ethyl 2-methoxyimino-2-(1-methylpyrazol-3-yl)acetate
CID 54252092
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate
CID 10779037

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate?
The IUPAC name of ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate (CID 4107103) is ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate.
What is the SMILES notation for ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate?
The canonical SMILES for ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate is CCOC(=O)C(=NOC)c1nc2ccccn2c1N=O.
What is the InChIKey of ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate?
The InChIKey is XSKRWGKJGHHRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-3-20-12(17)10(15-19-2)9-11(14-18)16-7-5-4-6-8(16)13-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate?
ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate has a molecular weight of 276.25 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate is sourced from PubChem (CID 4107103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).