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

C11H6BrF2N3O2 — CID 103600319

IUPACN-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H6BrF2N3O2/c12-6-3-5(13)4-7(14)10(6)15-11(19)8-1-2-9(18)17-16-8/h1-4H,(H,15,19)(H,17,18)
InChIKeyHWUDVLOLGGCULH-UHFFFAOYSA-N
MW330.09 g/mol
LogP2.06
Rot. Bonds2

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

N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103600319) has the molecular formula C11H6BrF2N3O2 and a molecular weight of 330.09 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103600319
Molecular FormulaC11H6BrF2N3O2
Molecular Weight330.09 g/mol
Exact Mass328.96
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H6BrF2N3O2/c12-6-3-5(13)4-7(14)10(6)15-11(19)8-1-2-9(18)17-16-8/h1-4H,(H,15,19)(H,17,18)
InChIKeyHWUDVLOLGGCULH-UHFFFAOYSA-N
XLogP2.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103600319) is N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1c(F)cc(F)cc1Br)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is HWUDVLOLGGCULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2N3O2/c12-6-3-5(13)4-7(14)10(6)15-11(19)8-1-2-9(18)17-16-8/h1-4H,(H,15,19)(H,17,18).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 330.09 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103600319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).