ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate

C16H14N2O2 — CID 1473601

IUPACethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)15-14(12-8-4-3-5-9-12)17-13-10-6-7-11-18(13)15/h3-11H,2H2,1H3
InChIKeyXFGHRPOEPNBKEM-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.18
Rot. Bonds3

About ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 1473601) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID1473601
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)15-14(12-8-4-3-5-9-12)17-13-10-6-7-11-18(13)15/h3-11H,2H2,1H3
InChIKeyXFGHRPOEPNBKEM-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate (CID 1473601) is ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is XFGHRPOEPNBKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)15-14(12-8-4-3-5-9-12)17-13-10-6-7-11-18(13)15/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 1473601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).