3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid

C7H5F3N2O3 — CID 117127039

IUPAC3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid
SMILESCOc1nnc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C7H5F3N2O3/c1-15-5-3(6(13)14)2-4(11-12-5)7(8,9)10/h2H,1H3,(H,13,14)
InChIKeyWYRKIKAGDHARMV-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.20
Rot. Bonds2

About 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid

3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid (PubChem CID 117127039) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid
PubChem CID117127039
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid
SMILESCOc1nnc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C7H5F3N2O3/c1-15-5-3(6(13)14)2-4(11-12-5)7(8,9)10/h2H,1H3,(H,13,14)
InChIKeyWYRKIKAGDHARMV-UHFFFAOYSA-N
XLogP1.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid (CID 117127039) is 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid is COc1nnc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid?
The InChIKey is WYRKIKAGDHARMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c1-15-5-3(6(13)14)2-4(11-12-5)7(8,9)10/h2H,1H3,(H,13,14).
What are the key properties of 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid?
3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid has a molecular weight of 222.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117127039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).