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

C9H9F3N2O3 — CID 55107855

IUPAC5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid
SMILESCc1nnc(OCC(F)(F)F)c(C(=O)O)c1C
InChIInChI=1S/C9H9F3N2O3/c1-4-5(2)13-14-7(6(4)8(15)16)17-3-9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyZVTYDXKRRJVJMY-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.73
Rot. Bonds3

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

5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid (PubChem CID 55107855) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid
PubChem CID55107855
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid
SMILESCc1nnc(OCC(F)(F)F)c(C(=O)O)c1C
InChIInChI=1S/C9H9F3N2O3/c1-4-5(2)13-14-7(6(4)8(15)16)17-3-9(10,11)12/h3H2,1-2H3,(H,15,16)
InChIKeyZVTYDXKRRJVJMY-UHFFFAOYSA-N
XLogP1.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid (CID 55107855) is 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid is Cc1nnc(OCC(F)(F)F)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid?
The InChIKey is ZVTYDXKRRJVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-4-5(2)13-14-7(6(4)8(15)16)17-3-9(10,11)12/h3H2,1-2H3,(H,15,16).
What are the key properties of 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid?
5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid has a molecular weight of 250.18 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,2,2-trifluoroethoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 55107855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).