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

C13H10FN3O — CID 54904411

IUPAC3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Oc2cccc(F)c2)c(C#N)c1C
InChIInChI=1S/C13H10FN3O/c1-8-9(2)16-17-13(12(8)7-15)18-11-5-3-4-10(14)6-11/h3-6H,1-2H3
InChIKeyRFDQQKRTMMNSFF-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.90
Rot. Bonds2

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

3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 54904411) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID54904411
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Oc2cccc(F)c2)c(C#N)c1C
InChIInChI=1S/C13H10FN3O/c1-8-9(2)16-17-13(12(8)7-15)18-11-5-3-4-10(14)6-11/h3-6H,1-2H3
InChIKeyRFDQQKRTMMNSFF-UHFFFAOYSA-N
XLogP2.90
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile (CID 54904411) is 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(Oc2cccc(F)c2)c(C#N)c1C.
What is the InChIKey of 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is RFDQQKRTMMNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-8-9(2)16-17-13(12(8)7-15)18-11-5-3-4-10(14)6-11/h3-6H,1-2H3.
What are the key properties of 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 54904411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).