N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H7BrFN3O2 — CID 7585579

IUPACN-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H7BrFN3O2/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)
InChIKeyJQJUQTKRZLQFEN-UHFFFAOYSA-N
MW312.10 g/mol
LogP1.92
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 7585579) has the molecular formula C11H7BrFN3O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID7585579
Molecular FormulaC11H7BrFN3O2
Molecular Weight312.10 g/mol
Exact Mass310.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H7BrFN3O2/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)
InChIKeyJQJUQTKRZLQFEN-UHFFFAOYSA-N
XLogP1.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 7585579) is N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JQJUQTKRZLQFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O2/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-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 312.10 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 7585579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).