3-(2-chlorophenoxy)pyridazine-4-carbonitrile

C11H6ClN3O — CID 80510196

IUPAC3-(2-chlorophenoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Oc1ccccc1Cl
InChIInChI=1S/C11H6ClN3O/c12-9-3-1-2-4-10(9)16-11-8(7-13)5-6-14-15-11/h1-6H
InChIKeyAZABKUAJFHAVHR-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.79
Rot. Bonds2

About 3-(2-chlorophenoxy)pyridazine-4-carbonitrile

3-(2-chlorophenoxy)pyridazine-4-carbonitrile (PubChem CID 80510196) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-chlorophenoxy)pyridazine-4-carbonitrile
PubChem CID80510196
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name3-(2-chlorophenoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Oc1ccccc1Cl
InChIInChI=1S/C11H6ClN3O/c12-9-3-1-2-4-10(9)16-11-8(7-13)5-6-14-15-11/h1-6H
InChIKeyAZABKUAJFHAVHR-UHFFFAOYSA-N
XLogP2.79
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenoxy)pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510176
3-(2,5-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510171
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174
3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile
CID 80510912
3-(3-hydroxy-2-methylphenoxy)pyridazine-4-carbonitrile
CID 80516417
N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
CID 80510052
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510977
3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
CID 80514539
2-(4-cyanopyridazin-3-yl)oxy-3-methoxybenzoic acid
CID 80516276
3-(2-chlorophenoxy)pyridazine
CID 154099494
3-propan-2-yloxypyridazine-4-carbonitrile
CID 80510144
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2-chlorophenoxy)pyridazine-4-carbonitrile (CID 80510196) is 3-(2-chlorophenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-chlorophenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-chlorophenoxy)pyridazine-4-carbonitrile is N#Cc1ccnnc1Oc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)pyridazine-4-carbonitrile?
The InChIKey is AZABKUAJFHAVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-9-3-1-2-4-10(9)16-11-8(7-13)5-6-14-15-11/h1-6H.
What are the key properties of 3-(2-chlorophenoxy)pyridazine-4-carbonitrile?
3-(2-chlorophenoxy)pyridazine-4-carbonitrile has a molecular weight of 231.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).