ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate

C17H14N2O3 — CID 58208423

IUPACethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2cc(-c3ccc(C=O)cc3)nc12
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)14-4-3-9-19-10-15(18-16(14)19)13-7-5-12(11-20)6-8-13/h3-11H,2H2,1H3
InChIKeyKIZNYWCGQPUABE-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.99
Rot. Bonds4

About ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate

ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 58208423) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID58208423
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2cc(-c3ccc(C=O)cc3)nc12
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)14-4-3-9-19-10-15(18-16(14)19)13-7-5-12(11-20)6-8-13/h3-11H,2H2,1H3
InChIKeyKIZNYWCGQPUABE-UHFFFAOYSA-N
XLogP2.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.99
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

ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 58208449
CID 158999175
CID 158999175
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704737
ethyl 2-phenylindolizine-8-carboxylate
CID 15562881
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117137722
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 134551584
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
CID 70300240
CID 70300240
ethyl tetrazolo[1,5-a]pyridine-8-carboxylate
CID 102030693

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 58208423) is ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cccn2cc(-c3ccc(C=O)cc3)nc12.
What is the InChIKey of ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is KIZNYWCGQPUABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-22-17(21)14-4-3-9-19-10-15(18-16(14)19)13-7-5-12(11-20)6-8-13/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate?
ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 58208423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).