5-(trifluoromethyl)pyridazine-4-carboxylic acid

C6H3F3N2O2 — CID 69242850

IUPAC5-(trifluoromethyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1C(F)(F)F
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-11-10-1-3(4)5(12)13/h1-2H,(H,12,13)
InChIKeyKBFSXOBOSXAMLE-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.19
Rot. Bonds1

About 5-(trifluoromethyl)pyridazine-4-carboxylic acid

5-(trifluoromethyl)pyridazine-4-carboxylic acid (PubChem CID 69242850) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)pyridazine-4-carboxylic acid
PubChem CID69242850
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Name5-(trifluoromethyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnncc1C(F)(F)F
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-11-10-1-3(4)5(12)13/h1-2H,(H,12,13)
InChIKeyKBFSXOBOSXAMLE-UHFFFAOYSA-N
XLogP1.19
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(trifluoromethyl)pyridazine-4-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

2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 53416466
4-fluoro-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 130766545
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
5-bromopyridazine-4-carboxylic acid
CID 118817051
[5-(trifluoromethyl)pyridazin-4-yl]urea
CID 144749752
[5-(trifluoromethyl)pyridazin-4-yl] carbonochloridate
CID 87801249
2-bromo-4,5-bis(trifluoromethyl)benzoic acid
CID 118801484
2-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118808083
ethane;4-(trifluoromethyl)thiophene-3-carboxylic acid
CID 91615060
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165489324
methyl [5-(trifluoromethyl)pyridazin-4-yl] carbonate
CID 69355881

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyridazine-4-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)pyridazine-4-carboxylic acid (CID 69242850) is 5-(trifluoromethyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)pyridazine-4-carboxylic acid is O=C(O)c1cnncc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)pyridazine-4-carboxylic acid?
The InChIKey is KBFSXOBOSXAMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-11-10-1-3(4)5(12)13/h1-2H,(H,12,13).
What are the key properties of 5-(trifluoromethyl)pyridazine-4-carboxylic acid?
5-(trifluoromethyl)pyridazine-4-carboxylic acid has a molecular weight of 192.10 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 69242850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).