3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile

C12H6F3N3O — CID 80510221

IUPAC3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)9-2-1-3-10(6-9)19-11-8(7-16)4-5-17-18-11/h1-6H
InChIKeyVVUGEQGDXIONQJ-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.16
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile

3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile (PubChem CID 80510221) has the molecular formula C12H6F3N3O and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
PubChem CID80510221
Molecular FormulaC12H6F3N3O
Molecular Weight265.19 g/mol
Exact Mass265.05
IUPAC Name3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)9-2-1-3-10(6-9)19-11-8(7-16)4-5-17-18-11/h1-6H
InChIKeyVVUGEQGDXIONQJ-UHFFFAOYSA-N
XLogP3.16
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile (CID 80510221) is 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile is N#Cc1ccnnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile?
The InChIKey is VVUGEQGDXIONQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O/c13-12(14,15)9-2-1-3-10(6-9)19-11-8(7-16)4-5-17-18-11/h1-6H.
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile?
3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile has a molecular weight of 265.19 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).