6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid

C10H11F3N2O4 — CID 114695822

IUPAC6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCCOCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)6-19-5-1-4-15-8(16)3-2-7(14-15)9(17)18/h2-3H,1,4-6H2,(H,17,18)
InChIKeyVWOYYAGQWNXDQA-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.91
Rot. Bonds6

About 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid

6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid (PubChem CID 114695822) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid
PubChem CID114695822
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCCOCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)6-19-5-1-4-15-8(16)3-2-7(14-15)9(17)18/h2-3H,1,4-6H2,(H,17,18)
InChIKeyVWOYYAGQWNXDQA-UHFFFAOYSA-N
XLogP0.91
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]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-(2-Fluoroethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 114696025
Methyl 1-(2-fluoroethyl)-6-oxopyridazine-3-carboxylate
CID 139512250
1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 8899701
2,2-Difluoroethyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 53597680
3-(2,2,2-Trifluoroethoxy)propyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 75526290
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-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxylic acid
CID 114695794
1-(2,2-Difluoroethyl)-6-oxopyridazine-3-carboxylic acid
CID 114695861
6-Oxo-1-(3,3,3-trifluoropropyl)pyridazine-3-carboxylic acid
CID 114695937
6-Oxo-1-(4,4,4-trifluorobutyl)pyridazine-3-carboxylic acid
CID 114695993

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid (CID 114695822) is 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CCCOCC(F)(F)F)n1.
What is the InChIKey of 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid?
The InChIKey is VWOYYAGQWNXDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c11-10(12,13)6-19-5-1-4-15-8(16)3-2-7(14-15)9(17)18/h2-3H,1,4-6H2,(H,17,18).
What are the key properties of 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid?
6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid has a molecular weight of 280.20 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 114695822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).