methyl imidazo[1,2-a]pyridine-8-carboxylate

C9H8N2O2 — CID 15098894

IUPACmethyl imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2ccnc12
InChIInChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-5-11-6-4-10-8(7)11/h2-6H,1H3
InChIKeyUJLRMEAGEVCFNJ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.12
Rot. Bonds1

About methyl imidazo[1,2-a]pyridine-8-carboxylate

methyl imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 15098894) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID15098894
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Namemethyl imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2ccnc12
InChIInChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-5-11-6-4-10-8(7)11/h2-6H,1H3
InChIKeyUJLRMEAGEVCFNJ-UHFFFAOYSA-N
XLogP1.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl imidazo[1,2-a]pyridine-8-carboxylate (CID 15098894) is methyl imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2ccnc12.
What is the InChIKey of methyl imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is UJLRMEAGEVCFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-5-11-6-4-10-8(7)11/h2-6H,1H3.
What are the key properties of methyl imidazo[1,2-a]pyridine-8-carboxylate?
methyl imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 176.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 15098894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).