5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one

C14H12ClN3O — CID 24839164

IUPAC5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(-c2ccccc2)c2nc(Cl)ccc21
InChIInChI=1S/C14H12ClN3O/c1-2-17-11-8-9-12(15)16-13(11)18(14(17)19)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyGDOTXPIXFZRXHI-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.86
Rot. Bonds2

About 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one

5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one (PubChem CID 24839164) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one
PubChem CID24839164
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one
SMILESCCn1c(=O)n(-c2ccccc2)c2nc(Cl)ccc21
InChIInChI=1S/C14H12ClN3O/c1-2-17-11-8-9-12(15)16-13(11)18(14(17)19)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyGDOTXPIXFZRXHI-UHFFFAOYSA-N
XLogP2.86
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one (CID 24839164) is 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one is CCn1c(=O)n(-c2ccccc2)c2nc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one?
The InChIKey is GDOTXPIXFZRXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-2-17-11-8-9-12(15)16-13(11)18(14(17)19)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one?
5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one has a molecular weight of 273.72 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-phenylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 24839164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).