1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C7H8F2N2O3 — CID 63937995

IUPAC1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CC(F)F)C(=O)CC1
InChIInChI=1S/C7H8F2N2O3/c8-5(9)3-11-6(12)2-1-4(10-11)7(13)14/h5H,1-3H2,(H,13,14)
InChIKeyIRCUWHJXHMFWLZ-UHFFFAOYSA-N
MW206.15 g/mol
LogP0.31
Rot. Bonds3

About 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 63937995) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID63937995
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CC(F)F)C(=O)CC1
InChIInChI=1S/C7H8F2N2O3/c8-5(9)3-11-6(12)2-1-4(10-11)7(13)14/h5H,1-3H2,(H,13,14)
InChIKeyIRCUWHJXHMFWLZ-UHFFFAOYSA-N
XLogP0.31
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 63937995) is 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(CC(F)F)C(=O)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is IRCUWHJXHMFWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c8-5(9)3-11-6(12)2-1-4(10-11)7(13)14/h5H,1-3H2,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 206.15 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 63937995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).