6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile

C11H5ClFN3O — CID 133416009

IUPAC6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C11H5ClFN3O/c12-7-1-3-10(9(13)5-7)17-11-4-2-8(6-14)15-16-11/h1-5H
InChIKeyDMYPWTZVNMPUKL-UHFFFAOYSA-N
MW249.63 g/mol
LogP2.93
Rot. Bonds2

About 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile

6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile (PubChem CID 133416009) has the molecular formula C11H5ClFN3O and a molecular weight of 249.63 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile
PubChem CID133416009
Molecular FormulaC11H5ClFN3O
Molecular Weight249.63 g/mol
Exact Mass249.01
IUPAC Name6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C11H5ClFN3O/c12-7-1-3-10(9(13)5-7)17-11-4-2-8(6-14)15-16-11/h1-5H
InChIKeyDMYPWTZVNMPUKL-UHFFFAOYSA-N
XLogP2.93
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.63
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dichlorophenoxy)pyridazine-3-carbonitrile
CID 86814381
6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile
CID 133435042
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
6-fluoropyridazine-3-carbonitrile
CID 57415865
2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
CID 63083303
(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine
CID 174273133
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
CID 163350395
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile?
The IUPAC name of 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile (CID 133416009) is 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile is N#Cc1ccc(Oc2ccc(Cl)cc2F)nn1.
What is the InChIKey of 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile?
The InChIKey is DMYPWTZVNMPUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClFN3O/c12-7-1-3-10(9(13)5-7)17-11-4-2-8(6-14)15-16-11/h1-5H.
What are the key properties of 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile?
6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile has a molecular weight of 249.63 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenoxy)pyridazine-3-carbonitrile is sourced from PubChem (CID 133416009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).