N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H9FN4O2 — CID 114040790

IUPACN-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C11H9FN4O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h1-5H,13H2,(H,14,18)(H,16,17)
InChIKeyTYODWWQQJCZLGB-UHFFFAOYSA-N
MW248.22 g/mol
LogP0.74
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 114040790) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID114040790
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC NameN-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C11H9FN4O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h1-5H,13H2,(H,14,18)(H,16,17)
InChIKeyTYODWWQQJCZLGB-UHFFFAOYSA-N
XLogP0.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107334173
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
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
4-amino-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 55041778

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 114040790) is N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is Nc1cc(F)cc(NC(=O)c2ccc(=O)[nH]n2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is TYODWWQQJCZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c12-6-3-7(13)5-8(4-6)14-11(18)9-1-2-10(17)16-15-9/h1-5H,13H2,(H,14,18)(H,16,17).
What are the key properties of N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 248.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 114040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).