ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate

C10H9FN2O2 — CID 125113165

IUPACethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(F)cccn12
InChIInChI=1S/C10H9FN2O2/c1-2-15-10(14)9-12-6-8-7(11)4-3-5-13(8)9/h3-6H,2H2,1H3
InChIKeyXLFBGYWVBYKRAK-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.65
Rot. Bonds2

About ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate

ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 125113165) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate
PubChem CID125113165
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Nameethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1ncc2c(F)cccn12
InChIInChI=1S/C10H9FN2O2/c1-2-15-10(14)9-12-6-8-7(11)4-3-5-13(8)9/h3-6H,2H2,1H3
InChIKeyXLFBGYWVBYKRAK-UHFFFAOYSA-N
XLogP1.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83878677
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
(8-fluoroimidazo[1,5-a]pyridin-3-yl)methanol
CID 105432910
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 2,6-difluorobenzoate
CID 519631
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-8-fluoroimidazo[1,5-a]pyridine-3-carboxamide
CID 126825343
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 90090238
ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 82529290
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
CID 166563440

Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate (CID 125113165) is ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1ncc2c(F)cccn12.
What is the InChIKey of ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate?
The InChIKey is XLFBGYWVBYKRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-2-15-10(14)9-12-6-8-7(11)4-3-5-13(8)9/h3-6H,2H2,1H3.
What are the key properties of ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate?
ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 208.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoroimidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 125113165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).