methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate

C9H7FN2O2 — CID 717824

IUPACmethyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccccn2c1F
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7/h2-5H,1H3
InChIKeyXPFMBPZXBGQIIM-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.26
Rot. Bonds1

About methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate

methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 717824) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID717824
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Namemethyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccccn2c1F
InChIInChI=1S/C9H7FN2O2/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7/h2-5H,1H3
InChIKeyXPFMBPZXBGQIIM-UHFFFAOYSA-N
XLogP1.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate (CID 717824) is methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2ccccn2c1F.
What is the InChIKey of methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is XPFMBPZXBGQIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7/h2-5H,1H3.
What are the key properties of methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 194.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 717824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).