N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide

C11H8FN3O2 — CID 69229250

IUPACN-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccn[nH]c1=O
InChIInChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)14-10(16)9-5-6-13-15-11(9)17/h1-6H,(H,14,16)(H,15,17)
InChIKeyPZDFXPGUDXBRGQ-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.16
Rot. Bonds2

About N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide

N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 69229250) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID69229250
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC NameN-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccn[nH]c1=O
InChIInChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)14-10(16)9-5-6-13-15-11(9)17/h1-6H,(H,14,16)(H,15,17)
InChIKeyPZDFXPGUDXBRGQ-UHFFFAOYSA-N
XLogP1.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-1H-pyridazine-5-carbohydrazide
CID 45122800
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4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
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N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
N-(4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62249751
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900
N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
CID 14478932

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide (CID 69229250) is N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide is O=C(Nc1ccc(F)cc1)c1ccn[nH]c1=O.
What is the InChIKey of N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is PZDFXPGUDXBRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)14-10(16)9-5-6-13-15-11(9)17/h1-6H,(H,14,16)(H,15,17).
What are the key properties of N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide?
N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 233.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 69229250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).