methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate

C11H10N2O3 — CID 83836379

IUPACmethyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(C)nc(C=O)c12
InChIInChI=1S/C11H10N2O3/c1-7-12-9(6-14)10-8(11(15)16-2)4-3-5-13(7)10/h3-6H,1-2H3
InChIKeyWFLHEPNIAGOJCQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.24
Rot. Bonds2

About methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate

methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 83836379) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID83836379
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(C)nc(C=O)c12
InChIInChI=1S/C11H10N2O3/c1-7-12-9(6-14)10-8(11(15)16-2)4-3-5-13(7)10/h3-6H,1-2H3
InChIKeyWFLHEPNIAGOJCQ-UHFFFAOYSA-N
XLogP1.24
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate
CID 83832388
methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252465
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252289
methyl 5-formylindolizine-8-carboxylate
CID 86685513
methyl 1-formylindole-7-carboxylate
CID 139994209
methyl 2-methyl-3-(2-oxoethyl)benzimidazole-4-carboxylate
CID 86672708
methyl 6-bromo-2-formylpyridine-3-carboxylate
CID 112757160
methyl 5-methylindolizine-8-carboxylate
CID 134433925
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252222
methyl 2-(2-formylphenyl)sulfanylbenzoate
CID 139661382

Frequently Asked Questions

What is the IUPAC name of methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate (CID 83836379) is methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(C)nc(C=O)c12.
What is the InChIKey of methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is WFLHEPNIAGOJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-12-9(6-14)10-8(11(15)16-2)4-3-5-13(7)10/h3-6H,1-2H3.
What are the key properties of methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate?
methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 83836379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).