5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid

C10H10F4N2O3 — CID 112741276

IUPAC5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid
SMILESCc1nn(CC(F)(F)C(F)F)c(=O)c(C(=O)O)c1C
InChIInChI=1S/C10H10F4N2O3/c1-4-5(2)15-16(3-10(13,14)9(11)12)7(17)6(4)8(18)19/h9H,3H2,1-2H3,(H,18,19)
InChIKeyHYSZJZXTBSDZKE-UHFFFAOYSA-N
MW282.19 g/mol
LogP1.46
Rot. Bonds4

About 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid

5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid (PubChem CID 112741276) has the molecular formula C10H10F4N2O3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid
PubChem CID112741276
Molecular FormulaC10H10F4N2O3
Molecular Weight282.19 g/mol
Exact Mass282.06
IUPAC Name5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid
SMILESCc1nn(CC(F)(F)C(F)F)c(=O)c(C(=O)O)c1C
InChIInChI=1S/C10H10F4N2O3/c1-4-5(2)15-16(3-10(13,14)9(11)12)7(17)6(4)8(18)19/h9H,3H2,1-2H3,(H,18,19)
InChIKeyHYSZJZXTBSDZKE-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid (CID 112741276) is 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid is Cc1nn(CC(F)(F)C(F)F)c(=O)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid?
The InChIKey is HYSZJZXTBSDZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O3/c1-4-5(2)15-16(3-10(13,14)9(11)12)7(17)6(4)8(18)19/h9H,3H2,1-2H3,(H,18,19).
What are the key properties of 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid has a molecular weight of 282.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-oxo-2-(2,2,3,3-tetrafluoropropyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 112741276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).