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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Related Compounds

1-[(3,4-difluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82918485
1-(3-methylbut-3-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 114472859
6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
CID 61492572
6-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]-4,5-dihydropyridazine-3-carboxylic acid
CID 61489951
1-[2-(3-methylbutoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54956727
1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563770
1-[(1-methylpyrazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82870145
1-[(5-bromo-3-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 104798862
1-[2-(2-cyanoethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563833
1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54956479
6-oxo-1-(quinolin-4-ylmethyl)-4,5-dihydropyridazine-3-carboxylic acid
CID 79231197
1-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563822

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).