6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid

C7H5F3N2O3 — CID 114695794

IUPAC6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CC(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)3-12-5(13)2-1-4(11-12)6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyJKEZQSJRDBRKRG-UHFFFAOYSA-N
MW222.12 g/mol
LogP0.50
Rot. Bonds2

About 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid

6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid (PubChem CID 114695794) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid
PubChem CID114695794
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CC(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)3-12-5(13)2-1-4(11-12)6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyJKEZQSJRDBRKRG-UHFFFAOYSA-N
XLogP0.50
TPSA72.19 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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-oxo-1-(2,2,2-trifluoroethyl)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

Related Compounds

1,6-Dihydro-6-oxo-1-propyl-3-pyridazinecarboxylic acid
CID 2119245
1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2366695
1-Butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 1965473
1-Ethyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2084045
1-(2-Fluoroethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 114696025
2,2-Difluoro-2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)acetic acid
CID 118647023
Methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate
CID 139512250
2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetic acid
CID 92130863
3,3,3-Trifluoro-2-[(3-methyl-6-oxopyridazin-1-yl)methyl]propanoic acid
CID 103773377
6-Oxo-1-(2,2,2-trifluoroethoxymethyl)pyridazine-3-carboxylic acid
CID 106705203
6-Oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid
CID 114695822
6-Oxo-1-[2-(trifluoromethylsulfanyl)ethyl]pyridazine-3-carboxylic acid
CID 114695837

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid (CID 114695794) is 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CC(F)(F)F)n1.
What is the InChIKey of 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid?
The InChIKey is JKEZQSJRDBRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)3-12-5(13)2-1-4(11-12)6(14)15/h1-2H,3H2,(H,14,15).
What are the key properties of 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid?
6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid has a molecular weight of 222.12 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2,2,2-trifluoroethyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 114695794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).