tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate

C12H13FN2O2 — CID 135396105

IUPACtert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cn2c(F)cccc2n1
InChIInChI=1S/C12H13FN2O2/c1-12(2,3)17-11(16)8-7-15-9(13)5-4-6-10(15)14-8/h4-7H,1-3H3
InChIKeyHINDHIOTJBKCKH-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.43
Rot. Bonds1

About tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate

tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 135396105) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID135396105
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Nametert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1cn2c(F)cccc2n1
InChIInChI=1S/C12H13FN2O2/c1-12(2,3)17-11(16)8-7-15-9(13)5-4-6-10(15)14-8/h4-7H,1-3H3
InChIKeyHINDHIOTJBKCKH-UHFFFAOYSA-N
XLogP2.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CID 135396105) is tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate is CC(C)(C)OC(=O)c1cn2c(F)cccc2n1.
What is the InChIKey of tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is HINDHIOTJBKCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-12(2,3)17-11(16)8-7-15-9(13)5-4-6-10(15)14-8/h4-7H,1-3H3.
What are the key properties of tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 236.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 135396105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).