1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid

C7H6F2N2O3 — CID 114695861

IUPAC1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CC(F)F)n1
InChIInChI=1S/C7H6F2N2O3/c8-5(9)3-11-6(12)2-1-4(10-11)7(13)14/h1-2,5H,3H2,(H,13,14)
InChIKeyVABSRLZDWRSKCF-UHFFFAOYSA-N
MW204.13 g/mol
LogP0.21
Rot. Bonds3

About 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid

1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 114695861) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID114695861
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CC(F)F)n1
InChIInChI=1S/C7H6F2N2O3/c8-5(9)3-11-6(12)2-1-4(10-11)7(13)14/h1-2,5H,3H2,(H,13,14)
InChIKeyVABSRLZDWRSKCF-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-6-oxopyridazine-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-(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
1-Ethyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2084045
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-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxylic acid
CID 114695794
6-Oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridazine-3-carboxylic acid
CID 114695822

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid (CID 114695861) is 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is VABSRLZDWRSKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-5(9)3-11-6(12)2-1-4(10-11)7(13)14/h1-2,5H,3H2,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid?
1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 204.13 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 114695861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).