3-(3-fluorophenoxy)pyridazine-4-carbonitrile

C11H6FN3O — CID 80510198

IUPAC3-(3-fluorophenoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Oc1cccc(F)c1
InChIInChI=1S/C11H6FN3O/c12-9-2-1-3-10(6-9)16-11-8(7-13)4-5-14-15-11/h1-6H
InChIKeyLDALPOCSOZRQRX-UHFFFAOYSA-N
MW215.19 g/mol
LogP2.28
Rot. Bonds2

About 3-(3-fluorophenoxy)pyridazine-4-carbonitrile

3-(3-fluorophenoxy)pyridazine-4-carbonitrile (PubChem CID 80510198) has the molecular formula C11H6FN3O and a molecular weight of 215.19 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-fluorophenoxy)pyridazine-4-carbonitrile
PubChem CID80510198
Molecular FormulaC11H6FN3O
Molecular Weight215.19 g/mol
Exact Mass215.05
IUPAC Name3-(3-fluorophenoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Oc1cccc(F)c1
InChIInChI=1S/C11H6FN3O/c12-9-2-1-3-10(6-9)16-11-8(7-13)4-5-14-15-11/h1-6H
InChIKeyLDALPOCSOZRQRX-UHFFFAOYSA-N
XLogP2.28
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-fluorophenoxy)pyridazine-4-carbonitrile (CID 80510198) is 3-(3-fluorophenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-fluorophenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-fluorophenoxy)pyridazine-4-carbonitrile is N#Cc1ccnnc1Oc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenoxy)pyridazine-4-carbonitrile?
The InChIKey is LDALPOCSOZRQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O/c12-9-2-1-3-10(6-9)16-11-8(7-13)4-5-14-15-11/h1-6H.
What are the key properties of 3-(3-fluorophenoxy)pyridazine-4-carbonitrile?
3-(3-fluorophenoxy)pyridazine-4-carbonitrile has a molecular weight of 215.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).