5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C11H8BrFN4O — CID 7200245

IUPAC5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=Cc2ccc(F)cc2)c1Br
InChIInChI=1S/C11H8BrFN4O/c12-10-9(6-15-17-11(10)18)16-14-5-7-1-3-8(13)4-2-7/h1-6H,(H2,16,17,18)
InChIKeyRWYALMYFNGOISG-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.12
Rot. Bonds3

About 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 7200245) has the molecular formula C11H8BrFN4O and a molecular weight of 311.11 g/mol. Its IUPAC name is 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID7200245
Molecular FormulaC11H8BrFN4O
Molecular Weight311.11 g/mol
Exact Mass309.99
IUPAC Name5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=Cc2ccc(F)cc2)c1Br
InChIInChI=1S/C11H8BrFN4O/c12-10-9(6-15-17-11(10)18)16-14-5-7-1-3-8(13)4-2-7/h1-6H,(H2,16,17,18)
InChIKeyRWYALMYFNGOISG-UHFFFAOYSA-N
XLogP2.12
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 71967341
5-bromo-4-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7453676
5-bromo-4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135874161
5-bromo-4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135616477
5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2792836
4-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 7200267
5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790384
5-bromo-4-[(2Z)-2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 42558341
5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7200282
5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2793044
methyl 4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]benzoate
CID 110337939
5-bromo-4-[(2Z)-2-[[(1R)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 5396904

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 7200245) is 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(NN=Cc2ccc(F)cc2)c1Br.
What is the InChIKey of 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is RWYALMYFNGOISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O/c12-10-9(6-15-17-11(10)18)16-14-5-7-1-3-8(13)4-2-7/h1-6H,(H2,16,17,18).
What are the key properties of 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 311.11 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 7200245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).