6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid

C7H5F3N2O3 — CID 60790844

IUPAC6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)3-15-5-2-1-4(6(13)14)11-12-5/h1-2H,3H2,(H,13,14)
InChIKeyKSZRBRNXHFNPAW-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.12
Rot. Bonds3

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

6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid (PubChem CID 60790844) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid
PubChem CID60790844
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)3-15-5-2-1-4(6(13)14)11-12-5/h1-2H,3H2,(H,13,14)
InChIKeyKSZRBRNXHFNPAW-UHFFFAOYSA-N
XLogP1.12
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid (CID 60790844) is 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid is O=C(O)c1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid?
The InChIKey is KSZRBRNXHFNPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)3-15-5-2-1-4(6(13)14)11-12-5/h1-2H,3H2,(H,13,14).
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid?
6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid has a molecular weight of 222.12 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60790844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).