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

C11H11N3O3 — CID 14761410

IUPACethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C)cn2c1N=O
InChIInChI=1S/C11H11N3O3/c1-3-17-11(15)9-10(13-16)14-6-7(2)4-5-8(14)12-9/h4-6H,3H2,1-2H3
InChIKeyAMPJPSJKJWDNDE-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.22
Rot. Bonds3

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

ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 14761410) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID14761410
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Nameethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C)cn2c1N=O
InChIInChI=1S/C11H11N3O3/c1-3-17-11(15)9-10(13-16)14-6-7(2)4-5-8(14)12-9/h4-6H,3H2,1-2H3
InChIKeyAMPJPSJKJWDNDE-UHFFFAOYSA-N
XLogP2.22
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674755
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 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
3-nitrosoimidazo[1,2-a]pyridine-2,6-dicarboxylic acid
CID 82356691
6-methyl-3-nitroso-2-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 82356422
ethyl (2E)-2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate
CID 6379244
ethyl 2-methoxyimino-2-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetate
CID 4107103
2-amino-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 83832171
ethyl 6-(1-ethoxyethenyl)-3-ethylsulfonylimidazo[1,2-a]pyridine-2-carboxylate
CID 165178177

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate (CID 14761410) is ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(C)cn2c1N=O.
What is the InChIKey of ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is AMPJPSJKJWDNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-3-17-11(15)9-10(13-16)14-6-7(2)4-5-8(14)12-9/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 14761410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).