ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

C16H13ClN2O2 — CID 1473605

IUPACethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H13ClN2O2/c1-2-21-16(20)15-14(11-6-4-3-5-7-11)18-13-9-8-12(17)10-19(13)15/h3-10H,2H2,1H3
InChIKeyZSIIKCZWUHINMD-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.83
Rot. Bonds3

About ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 1473605) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID1473605
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Nameethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C16H13ClN2O2/c1-2-21-16(20)15-14(11-6-4-3-5-7-11)18-13-9-8-12(17)10-19(13)15/h3-10H,2H2,1H3
InChIKeyZSIIKCZWUHINMD-UHFFFAOYSA-N
XLogP3.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate (CID 1473605) is ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc2ccc(Cl)cn12.
What is the InChIKey of ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ZSIIKCZWUHINMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-2-21-16(20)15-14(11-6-4-3-5-7-11)18-13-9-8-12(17)10-19(13)15/h3-10H,2H2,1H3.
What are the key properties of ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 300.75 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 1473605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).