1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid

C6H4F2N2O3 — CID 114696062

IUPAC1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C(F)F)n1
InChIInChI=1S/C6H4F2N2O3/c7-6(8)10-4(11)2-1-3(9-10)5(12)13/h1-2,6H,(H,12,13)
InChIKeyUHTMBMLEHFJBRD-UHFFFAOYSA-N
MW190.11 g/mol
LogP0.34
Rot. Bonds2

About 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid

1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 114696062) has the molecular formula C6H4F2N2O3 and a molecular weight of 190.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID114696062
Molecular FormulaC6H4F2N2O3
Molecular Weight190.11 g/mol
Exact Mass190.02
IUPAC Name1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C(F)F)n1
InChIInChI=1S/C6H4F2N2O3/c7-6(8)10-4(11)2-1-3(9-10)5(12)13/h1-2,6H,(H,12,13)
InChIKeyUHTMBMLEHFJBRD-UHFFFAOYSA-N
XLogP0.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2366695
1-Methyl-6-oxo-pyridazine-3-carboxylate
CID 2366694
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
1-Ethyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 2084045
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
1-(3-Fluoropropyl)-6-oxopyridazine-3-carboxylic acid
CID 114696016
1-(Methoxymethyl)-6-oxopyridazine-3-carboxylic acid
CID 114695876

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid (CID 114696062) is 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is UHTMBMLEHFJBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O3/c7-6(8)10-4(11)2-1-3(9-10)5(12)13/h1-2,6H,(H,12,13).
What are the key properties of 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid?
1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 190.11 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 114696062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).