8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one

C13H6Cl2N2O2 — CID 146443585

IUPAC8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one
SMILESO=c1cc(-c2ccc(Cl)nn2)oc2c(Cl)cccc12
InChIInChI=1S/C13H6Cl2N2O2/c14-8-3-1-2-7-10(18)6-11(19-13(7)8)9-4-5-12(15)17-16-9/h1-6H
InChIKeyYWNQDHXQWKEYPO-UHFFFAOYSA-N
MW293.11 g/mol
LogP3.56
Rot. Bonds1

About 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one

8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one (PubChem CID 146443585) has the molecular formula C13H6Cl2N2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one.

Molecular Properties

Compound Name8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one
PubChem CID146443585
Molecular FormulaC13H6Cl2N2O2
Molecular Weight293.11 g/mol
Exact Mass291.98
IUPAC Name8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one
SMILESO=c1cc(-c2ccc(Cl)nn2)oc2c(Cl)cccc12
InChIInChI=1S/C13H6Cl2N2O2/c14-8-3-1-2-7-10(18)6-11(19-13(7)8)9-4-5-12(15)17-16-9/h1-6H
InChIKeyYWNQDHXQWKEYPO-UHFFFAOYSA-N
XLogP3.56
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one?
The IUPAC name of 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one (CID 146443585) is 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one.
What is the SMILES notation for 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one?
The canonical SMILES for 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one is O=c1cc(-c2ccc(Cl)nn2)oc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one?
The InChIKey is YWNQDHXQWKEYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2N2O2/c14-8-3-1-2-7-10(18)6-11(19-13(7)8)9-4-5-12(15)17-16-9/h1-6H.
What are the key properties of 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one?
8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one has a molecular weight of 293.11 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(6-chloropyridazin-3-yl)chromen-4-one is sourced from PubChem (CID 146443585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).