methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate

C11H10N2O4 — CID 117253439

IUPACmethyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC=O)n2cc(O)ccc12
InChIInChI=1S/C11H10N2O4/c1-17-11(16)10-8-3-2-7(15)6-13(8)9(12-10)4-5-14/h2-3,5-6,15H,4H2,1H3
InChIKeyRKRZSAWJHWUJKF-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.57
Rot. Bonds3

About methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253439) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253439
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Namemethyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(CC=O)n2cc(O)ccc12
InChIInChI=1S/C11H10N2O4/c1-17-11(16)10-8-3-2-7(15)6-13(8)9(12-10)4-5-14/h2-3,5-6,15H,4H2,1H3
InChIKeyRKRZSAWJHWUJKF-UHFFFAOYSA-N
XLogP0.57
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 117253439) is methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(CC=O)n2cc(O)ccc12.
What is the InChIKey of methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is RKRZSAWJHWUJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-11(16)10-8-3-2-7(15)6-13(8)9(12-10)4-5-14/h2-3,5-6,15H,4H2,1H3.
What are the key properties of methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 234.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-3-(2-oxoethyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).