methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate

C10H8N2O3 — CID 83832388

IUPACmethyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cnc(C=O)c12
InChIInChI=1S/C10H8N2O3/c1-15-10(14)7-3-2-4-12-6-11-8(5-13)9(7)12/h2-6H,1H3
InChIKeyBYRFVSGGNGQJHJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.93
Rot. Bonds2

About methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate

methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 83832388) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID83832388
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cnc(C=O)c12
InChIInChI=1S/C10H8N2O3/c1-15-10(14)7-3-2-4-12-6-11-8(5-13)9(7)12/h2-6H,1H3
InChIKeyBYRFVSGGNGQJHJ-UHFFFAOYSA-N
XLogP0.93
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.93
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-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate
CID 83836379
N,1-dimethylimidazo[1,5-a]pyridine-8-carboxamide
CID 171628071
methyl 1-formylindole-7-carboxylate
CID 139994209
methyl 3-ethyl-5-formylimidazole-4-carboxylate
CID 172593322
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-ethoxybenzimidazole-4-carboxylate
CID 141072626
methyl 6-bromo-2-formylpyridine-3-carboxylate
CID 112757160
methyl 2-methyl-3-(2-oxoethyl)benzimidazole-4-carboxylate
CID 86672708
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 3-chloro-2-[(3-formylpyrazol-1-yl)methyl]benzoate
CID 165461108
methyl 5-formylindolizine-8-carboxylate
CID 86685513
methyl 3-ethenylimidazo[1,2-a]pyridine-8-carboxylate
CID 135146869

Frequently Asked Questions

What is the IUPAC name of methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate (CID 83832388) is methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2cnc(C=O)c12.
What is the InChIKey of methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is BYRFVSGGNGQJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-10(14)7-3-2-4-12-6-11-8(5-13)9(7)12/h2-6H,1H3.
What are the key properties of methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate?
methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 83832388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).