1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine

C11H13ClN2O — CID 117250259

IUPAC1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine
SMILESCOCCc1nc(Cl)c2cccc(C)n12
InChIInChI=1S/C11H13ClN2O/c1-8-4-3-5-9-11(12)13-10(14(8)9)6-7-15-2/h3-5H,6-7H2,1-2H3
InChIKeyXJDKTMZKVACHCH-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.49
Rot. Bonds3

About 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine

1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine (PubChem CID 117250259) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine
PubChem CID117250259
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine
SMILESCOCCc1nc(Cl)c2cccc(C)n12
InChIInChI=1S/C11H13ClN2O/c1-8-4-3-5-9-11(12)13-10(14(8)9)6-7-15-2/h3-5H,6-7H2,1-2H3
InChIKeyXJDKTMZKVACHCH-UHFFFAOYSA-N
XLogP2.49
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine (CID 117250259) is 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine is COCCc1nc(Cl)c2cccc(C)n12.
What is the InChIKey of 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine?
The InChIKey is XJDKTMZKVACHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8-4-3-5-9-11(12)13-10(14(8)9)6-7-15-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine?
1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine has a molecular weight of 224.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117250259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).