3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine

C12H9ClN2O2 — CID 117140531

IUPAC3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine
SMILESCOc1cccc2cnc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C12H9ClN2O2/c1-16-11-4-2-3-8-7-14-12(15(8)11)9-5-6-10(13)17-9/h2-7H,1H3
InChIKeySYVBYHMNWRDJQE-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.26
Rot. Bonds2

About 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine

3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine (PubChem CID 117140531) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine
PubChem CID117140531
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine
SMILESCOc1cccc2cnc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C12H9ClN2O2/c1-16-11-4-2-3-8-7-14-12(15(8)11)9-5-6-10(13)17-9/h2-7H,1H3
InChIKeySYVBYHMNWRDJQE-UHFFFAOYSA-N
XLogP3.26
TPSA39.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine?
The IUPAC name of 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine (CID 117140531) is 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine is COc1cccc2cnc(-c3ccc(Cl)o3)n12.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine?
The InChIKey is SYVBYHMNWRDJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-16-11-4-2-3-8-7-14-12(15(8)11)9-5-6-10(13)17-9/h2-7H,1H3.
What are the key properties of 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine?
3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine has a molecular weight of 248.67 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-5-methoxyimidazo[1,5-a]pyridine is sourced from PubChem (CID 117140531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).