6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile

C11H5Cl2N3O — CID 86814381

IUPAC6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C11H5Cl2N3O/c12-7-1-3-9(13)10(5-7)17-11-4-2-8(6-14)15-16-11/h1-5H
InChIKeyYNHCRDKFELDCTR-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.45
Rot. Bonds2

About 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile

6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile (PubChem CID 86814381) has the molecular formula C11H5Cl2N3O and a molecular weight of 266.09 g/mol. Its IUPAC name is 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile
PubChem CID86814381
Molecular FormulaC11H5Cl2N3O
Molecular Weight266.09 g/mol
Exact Mass264.98
IUPAC Name6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Oc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C11H5Cl2N3O/c12-7-1-3-9(13)10(5-7)17-11-4-2-8(6-14)15-16-11/h1-5H
InChIKeyYNHCRDKFELDCTR-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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Related Compounds

6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile
CID 133416009
3-(2,5-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510171
6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile
CID 133435042
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
2-amino-5-(2,5-dichlorophenoxy)benzonitrile
CID 115499728
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
3-(2,5-dichlorophenoxy)benzonitrile
CID 86153533
6-(5-bromo-2-chlorophenoxy)pyridine-2-carbonitrile
CID 64587971
4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320716
[6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80917703
[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine
CID 66451005
6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile?
The IUPAC name of 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile (CID 86814381) is 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile is N#Cc1ccc(Oc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile?
The InChIKey is YNHCRDKFELDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3O/c12-7-1-3-9(13)10(5-7)17-11-4-2-8(6-14)15-16-11/h1-5H.
What are the key properties of 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile?
6-(2,5-dichlorophenoxy)pyridazine-3-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 6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile is sourced from PubChem (CID 86814381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).