ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate

C12H10FN3O2 — CID 82529290

IUPACethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(F)cccn2c1CC#N
InChIInChI=1S/C12H10FN3O2/c1-2-18-12(17)10-9(5-6-14)16-7-3-4-8(13)11(16)15-10/h3-4,7H,2,5H2,1H3
InChIKeyZJUUHLAFRLBTOA-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.72
Rot. Bonds3

About ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 82529290) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID82529290
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Nameethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(F)cccn2c1CC#N
InChIInChI=1S/C12H10FN3O2/c1-2-18-12(17)10-9(5-6-14)16-7-3-4-8(13)11(16)15-10/h3-4,7H,2,5H2,1H3
InChIKeyZJUUHLAFRLBTOA-UHFFFAOYSA-N
XLogP1.72
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 171530852
ethyl 2-[8-chloro-3-(cyanomethyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 82529282
ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837
ethyl 3-amino-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82529177
ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82355967
ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate
CID 125113165
2-amino-1-(8-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one
CID 84686551
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
CID 14368366

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CID 82529290) is ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2c(F)cccn2c1CC#N.
What is the InChIKey of ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is ZJUUHLAFRLBTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-2-18-12(17)10-9(5-6-14)16-7-3-4-8(13)11(16)15-10/h3-4,7H,2,5H2,1H3.
What are the key properties of ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 247.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 82529290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).