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

C10H8FN3O3 — CID 82356768

IUPACethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(F)cn2c1N=O
InChIInChI=1S/C10H8FN3O3/c1-2-17-10(15)8-9(13-16)14-5-6(11)3-4-7(14)12-8/h3-5H,2H2,1H3
InChIKeyTYQVSZSKIXKIHV-UHFFFAOYSA-N
MW237.19 g/mol
LogP2.05
Rot. Bonds3

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

ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 82356768) has the molecular formula C10H8FN3O3 and a molecular weight of 237.19 g/mol. Its IUPAC name is ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID82356768
Molecular FormulaC10H8FN3O3
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Nameethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(F)cn2c1N=O
InChIInChI=1S/C10H8FN3O3/c1-2-17-10(15)8-9(13-16)14-5-6(11)3-4-7(14)12-8/h3-5H,2H2,1H3
InChIKeyTYQVSZSKIXKIHV-UHFFFAOYSA-N
XLogP2.05
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674805
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
6-fluoro-2-(4-methoxy-3-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356749
6-fluoro-3-nitroso-2-(4-propoxyphenyl)imidazo[1,2-a]pyridine
CID 82356752
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
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
ethyl 6-fluoroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920991
2-(2,4-dimethylphenyl)-6-fluoro-3-nitrosoimidazo[1,2-a]pyridine
CID 82356789
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82530388

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate (CID 82356768) is ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(F)cn2c1N=O.
What is the InChIKey of ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is TYQVSZSKIXKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3/c1-2-17-10(15)8-9(13-16)14-5-6(11)3-4-7(14)12-8/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 237.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 82356768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).