N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H7F2N3O2 — CID 103605944

IUPACN-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H7F2N3O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h1-5H,(H,14,18)(H,16,17)
InChIKeySBCZNDYNFFHLHK-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.30
Rot. Bonds2

About N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103605944) has the molecular formula C11H7F2N3O2 and a molecular weight of 251.19 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103605944
Molecular FormulaC11H7F2N3O2
Molecular Weight251.19 g/mol
Exact Mass251.05
IUPAC NameN-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H7F2N3O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h1-5H,(H,14,18)(H,16,17)
InChIKeySBCZNDYNFFHLHK-UHFFFAOYSA-N
XLogP1.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
CID 86975908
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103605944) is N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is SBCZNDYNFFHLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h1-5H,(H,14,18)(H,16,17).
What are the key properties of N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 251.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103605944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).