4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid

C12H7F3N2O3 — CID 1481309

IUPAC4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)17-5-4-9(18)10(16-17)11(19)20/h1-6H,(H,19,20)
InChIKeyKSEKOLCPFDHTQW-UHFFFAOYSA-N
MW284.19 g/mol
LogP1.95
Rot. Bonds2

About 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid

4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid (PubChem CID 1481309) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
PubChem CID1481309
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)17-5-4-9(18)10(16-17)11(19)20/h1-6H,(H,19,20)
InChIKeyKSEKOLCPFDHTQW-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid (CID 1481309) is 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid is O=C(O)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid?
The InChIKey is KSEKOLCPFDHTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)7-2-1-3-8(6-7)17-5-4-9(18)10(16-17)11(19)20/h1-6H,(H,19,20).
What are the key properties of 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid?
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid has a molecular weight of 284.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 1481309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).