6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile

C12H8FN3O — CID 100732189

IUPAC6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile
SMILESCc1ccc(Oc2ccc(C#N)nn2)cc1F
InChIInChI=1S/C12H8FN3O/c1-8-2-4-10(6-11(8)13)17-12-5-3-9(7-14)15-16-12/h2-6H,1H3
InChIKeyGZBYTAMPBZHMGV-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.59
Rot. Bonds2

About 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile

6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile (PubChem CID 100732189) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile
PubChem CID100732189
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile
SMILESCc1ccc(Oc2ccc(C#N)nn2)cc1F
InChIInChI=1S/C12H8FN3O/c1-8-2-4-10(6-11(8)13)17-12-5-3-9(7-14)15-16-12/h2-6H,1H3
InChIKeyGZBYTAMPBZHMGV-UHFFFAOYSA-N
XLogP2.59
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile?
The IUPAC name of 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile (CID 100732189) is 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile is Cc1ccc(Oc2ccc(C#N)nn2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile?
The InChIKey is GZBYTAMPBZHMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c1-8-2-4-10(6-11(8)13)17-12-5-3-9(7-14)15-16-12/h2-6H,1H3.
What are the key properties of 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile?
6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile has a molecular weight of 229.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenoxy)pyridazine-3-carbonitrile is sourced from PubChem (CID 100732189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).