N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H8FN3O2 — CID 939768

IUPACN-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16)
InChIKeyYJMNZCXQZOGVEV-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.16
Rot. Bonds2

About N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 939768) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID939768
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC NameN-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16)
InChIKeyYJMNZCXQZOGVEV-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 939768) is N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YJMNZCXQZOGVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16).
What are the key properties of N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-fluorophenyl)-6-oxo-1H-pyridazine-3-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-3-carboxamide is sourced from PubChem (CID 939768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).