5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride

C7H7ClF3N3O — CID 90880876

IUPAC5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride
SMILESCc1nn(C)c(=O)c(C#N)c1Cl.F.FF
InChIInChI=1S/C7H6ClN3O.F2.FH/c1-4-6(8)5(3-9)7(12)11(2)10-4;1-2;/h1-2H3;;1H
InChIKeyBQUXMDIHZCHVGQ-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.61
Rot. Bonds

About 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride

5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride (PubChem CID 90880876) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Name5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride
PubChem CID90880876
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride
SMILESCc1nn(C)c(=O)c(C#N)c1Cl.F.FF
InChIInChI=1S/C7H6ClN3O.F2.FH/c1-4-6(8)5(3-9)7(12)11(2)10-4;1-2;/h1-2H3;;1H
InChIKeyBQUXMDIHZCHVGQ-UHFFFAOYSA-N
XLogP1.61
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,6-Trimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile
CID 25323915
5-Chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 57604849
5-Chloro-2,4,6-trimethylpyridazin-3-one
CID 89488103
2,6-Dimethyl-3-oxopyridazine-4-carbonitrile
CID 82442617

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride?
The IUPAC name of 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride (CID 90880876) is 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride.
What is the SMILES notation for 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride?
The canonical SMILES for 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride is Cc1nn(C)c(=O)c(C#N)c1Cl.F.FF.
What is the InChIKey of 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride?
The InChIKey is BQUXMDIHZCHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O.F2.FH/c1-4-6(8)5(3-9)7(12)11(2)10-4;1-2;/h1-2H3;;1H.
What are the key properties of 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride?
5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride has a molecular weight of 241.60 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-dimethyl-3-oxopyridazine-4-carbonitrile;molecular fluorine;hydrofluoride is sourced from PubChem (CID 90880876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).