4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile

C11H5Cl2N3O — CID 2766932

IUPAC4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile
SMILESN#Cc1nn(-c2cccc(Cl)c2)c(=O)cc1Cl
InChIInChI=1S/C11H5Cl2N3O/c12-7-2-1-3-8(4-7)16-11(17)5-9(13)10(6-14)15-16/h1-5H
InChIKeyPBLQXKAJWZDHDU-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.41
Rot. Bonds1

About 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile

4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile (PubChem CID 2766932) has the molecular formula C11H5Cl2N3O and a molecular weight of 266.09 g/mol. Its IUPAC name is 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile
PubChem CID2766932
Molecular FormulaC11H5Cl2N3O
Molecular Weight266.09 g/mol
Exact Mass264.98
IUPAC Name4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile
SMILESN#Cc1nn(-c2cccc(Cl)c2)c(=O)cc1Cl
InChIInChI=1S/C11H5Cl2N3O/c12-7-2-1-3-8(4-7)16-11(17)5-9(13)10(6-14)15-16/h1-5H
InChIKeyPBLQXKAJWZDHDU-UHFFFAOYSA-N
XLogP2.41
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile?
The IUPAC name of 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile (CID 2766932) is 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile.
What is the SMILES notation for 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile?
The canonical SMILES for 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile is N#Cc1nn(-c2cccc(Cl)c2)c(=O)cc1Cl.
What is the InChIKey of 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile?
The InChIKey is PBLQXKAJWZDHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O/c12-7-2-1-3-8(4-7)16-11(17)5-9(13)10(6-14)15-16/h1-5H.
What are the key properties of 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile?
4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile has a molecular weight of 266.09 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-chlorophenyl)-6-oxopyridazine-3-carbonitrile is sourced from PubChem (CID 2766932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).