3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile

C11H5Cl2N3O — CID 80510176

IUPAC3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl2N3O/c12-8-2-1-3-9(10(8)13)17-11-7(6-14)4-5-15-16-11/h1-5H
InChIKeyAWWYIKQQWDRBSX-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.45
Rot. Bonds2

About 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile

3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile (PubChem CID 80510176) has the molecular formula C11H5Cl2N3O and a molecular weight of 266.09 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile
PubChem CID80510176
Molecular FormulaC11H5Cl2N3O
Molecular Weight266.09 g/mol
Exact Mass264.98
IUPAC Name3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl2N3O/c12-8-2-1-3-9(10(8)13)17-11-7(6-14)4-5-15-16-11/h1-5H
InChIKeyAWWYIKQQWDRBSX-UHFFFAOYSA-N
XLogP3.45
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile (CID 80510176) is 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile is N#Cc1ccnnc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile?
The InChIKey is AWWYIKQQWDRBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O/c12-8-2-1-3-9(10(8)13)17-11-7(6-14)4-5-15-16-11/h1-5H.
What are the key properties of 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile?
3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile has a molecular weight of 266.09 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).