3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one

C18H12Cl2N2O3 — CID 156601420

IUPAC3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(-c3cn4cc(Cl)cc(Cl)c4n3)c(=O)oc12
InChIInChI=1S/C18H12Cl2N2O3/c1-2-24-15-5-3-4-10-6-12(18(23)25-16(10)15)14-9-22-8-11(19)7-13(20)17(22)21-14/h3-9H,2H2,1H3
InChIKeyRAKRNUCSYBVIJB-UHFFFAOYSA-N
MW375.21 g/mol
LogP4.81
Rot. Bonds3

About 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one

3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one (PubChem CID 156601420) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one.

Molecular Properties

Compound Name3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one
PubChem CID156601420
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC Name3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one
SMILESCCOc1cccc2cc(-c3cn4cc(Cl)cc(Cl)c4n3)c(=O)oc12
InChIInChI=1S/C18H12Cl2N2O3/c1-2-24-15-5-3-4-10-6-12(18(23)25-16(10)15)14-9-22-8-11(19)7-13(20)17(22)21-14/h3-9H,2H2,1H3
InChIKeyRAKRNUCSYBVIJB-UHFFFAOYSA-N
XLogP4.81
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one?
The IUPAC name of 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one (CID 156601420) is 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one.
What is the SMILES notation for 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one?
The canonical SMILES for 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one is CCOc1cccc2cc(-c3cn4cc(Cl)cc(Cl)c4n3)c(=O)oc12.
What is the InChIKey of 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one?
The InChIKey is RAKRNUCSYBVIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c1-2-24-15-5-3-4-10-6-12(18(23)25-16(10)15)14-9-22-8-11(19)7-13(20)17(22)21-14/h3-9H,2H2,1H3.
What are the key properties of 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one?
3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one has a molecular weight of 375.21 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-8-ethoxychromen-2-one is sourced from PubChem (CID 156601420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).