N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H7FIN3O2 — CID 103737179

IUPACN-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1I)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H7FIN3O2/c12-6-1-2-8(7(13)5-6)14-11(18)9-3-4-10(17)16-15-9/h1-5H,(H,14,18)(H,16,17)
InChIKeyDRLPJVMAGWGLKD-UHFFFAOYSA-N
MW359.10 g/mol
LogP1.77
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103737179) has the molecular formula C11H7FIN3O2 and a molecular weight of 359.10 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103737179
Molecular FormulaC11H7FIN3O2
Molecular Weight359.10 g/mol
Exact Mass358.96
IUPAC NameN-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1I)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H7FIN3O2/c12-6-1-2-8(7(13)5-6)14-11(18)9-3-4-10(17)16-15-9/h1-5H,(H,14,18)(H,16,17)
InChIKeyDRLPJVMAGWGLKD-UHFFFAOYSA-N
XLogP1.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.10
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103822749
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 81316083
N-(4-fluoro-2-iodophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103766382
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790
N-(4-fluoro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79766728
4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
CID 79768952
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103737179) is N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1I)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DRLPJVMAGWGLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FIN3O2/c12-6-1-2-8(7(13)5-6)14-11(18)9-3-4-10(17)16-15-9/h1-5H,(H,14,18)(H,16,17).
What are the key properties of N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 359.10 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103737179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).