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

C16H7Cl3N2O2 — CID 4277611

IUPAC6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1-c1cn2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C16H7Cl3N2O2/c17-9-1-2-14-8(3-9)4-11(16(22)23-14)13-7-21-6-10(18)5-12(19)15(21)20-13/h1-7H
InChIKeyJNIBYMGRFZSKPS-UHFFFAOYSA-N
MW365.60 g/mol
LogP5.07
Rot. Bonds1

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

6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one (PubChem CID 4277611) has the molecular formula C16H7Cl3N2O2 and a molecular weight of 365.60 g/mol. Its IUPAC name is 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
PubChem CID4277611
Molecular FormulaC16H7Cl3N2O2
Molecular Weight365.60 g/mol
Exact Mass363.96
IUPAC Name6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1-c1cn2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C16H7Cl3N2O2/c17-9-1-2-14-8(3-9)4-11(16(22)23-14)13-7-21-6-10(18)5-12(19)15(21)20-13/h1-7H
InChIKeyJNIBYMGRFZSKPS-UHFFFAOYSA-N
XLogP5.07
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The IUPAC name of 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one (CID 4277611) is 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one.
What is the SMILES notation for 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one is O=c1oc2ccc(Cl)cc2cc1-c1cn2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The InChIKey is JNIBYMGRFZSKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl3N2O2/c17-9-1-2-14-8(3-9)4-11(16(22)23-14)13-7-21-6-10(18)5-12(19)15(21)20-13/h1-7H.
What are the key properties of 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one has a molecular weight of 365.60 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 4277611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).