3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile

C13H9F2N3O — CID 62415623

IUPAC3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Oc2cc(F)cc(F)c2)c(C#N)c1C
InChIInChI=1S/C13H9F2N3O/c1-7-8(2)17-18-13(12(7)6-16)19-11-4-9(14)3-10(15)5-11/h3-5H,1-2H3
InChIKeyNVXOPHCFSCCJSL-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.04
Rot. Bonds2

About 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile

3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 62415623) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID62415623
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Oc2cc(F)cc(F)c2)c(C#N)c1C
InChIInChI=1S/C13H9F2N3O/c1-7-8(2)17-18-13(12(7)6-16)19-11-4-9(14)3-10(15)5-11/h3-5H,1-2H3
InChIKeyNVXOPHCFSCCJSL-UHFFFAOYSA-N
XLogP3.04
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile (CID 62415623) is 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(Oc2cc(F)cc(F)c2)c(C#N)c1C.
What is the InChIKey of 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is NVXOPHCFSCCJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c1-7-8(2)17-18-13(12(7)6-16)19-11-4-9(14)3-10(15)5-11/h3-5H,1-2H3.
What are the key properties of 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 261.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 62415623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).