3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile

C14H9FN4O — CID 78952723

IUPAC3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Oc2ccc(C#N)c(F)c2)c(C#N)c1C
InChIInChI=1S/C14H9FN4O/c1-8-9(2)18-19-14(12(8)7-17)20-11-4-3-10(6-16)13(15)5-11/h3-5H,1-2H3
InChIKeyIFVZHLXKSPBWAV-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile

3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 78952723) has the molecular formula C14H9FN4O and a molecular weight of 268.25 g/mol. Its IUPAC name is 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID78952723
Molecular FormulaC14H9FN4O
Molecular Weight268.25 g/mol
Exact Mass268.08
IUPAC Name3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Oc2ccc(C#N)c(F)c2)c(C#N)c1C
InChIInChI=1S/C14H9FN4O/c1-8-9(2)18-19-14(12(8)7-17)20-11-4-3-10(6-16)13(15)5-11/h3-5H,1-2H3
InChIKeyIFVZHLXKSPBWAV-UHFFFAOYSA-N
XLogP2.77
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 60725799
3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535484
3-(3,5-dichlorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535943
5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile
CID 102846558
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
3-(4-cyclopropylsulfonylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 167852305
2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883406
4-(4-cyano-5,6-dimethylpyridazin-3-yl)oxy-3-methylbenzoic acid
CID 107672819
4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 102761068
5,6-dimethyl-3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridazine-4-carbonitrile
CID 81342312
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile (CID 78952723) is 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(Oc2ccc(C#N)c(F)c2)c(C#N)c1C.
What is the InChIKey of 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is IFVZHLXKSPBWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O/c1-8-9(2)18-19-14(12(8)7-17)20-11-4-3-10(6-16)13(15)5-11/h3-5H,1-2H3.
What are the key properties of 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 268.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 78952723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).