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

C11H8BrClN4O — CID 71967341

IUPAC5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=Cc2ccccc2Cl)c1Br
InChIInChI=1S/C11H8BrClN4O/c12-10-9(6-15-17-11(10)18)16-14-5-7-3-1-2-4-8(7)13/h1-6H,(H2,16,17,18)
InChIKeyPCLAGWMDJSABMS-UHFFFAOYSA-N
MW327.57 g/mol
LogP2.63
Rot. Bonds3

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

5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 71967341) has the molecular formula C11H8BrClN4O and a molecular weight of 327.57 g/mol. Its IUPAC name is 5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID71967341
Molecular FormulaC11H8BrClN4O
Molecular Weight327.57 g/mol
Exact Mass325.96
IUPAC Name5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=Cc2ccccc2Cl)c1Br
InChIInChI=1S/C11H8BrClN4O/c12-10-9(6-15-17-11(10)18)16-14-5-7-3-1-2-4-8(7)13/h1-6H,(H2,16,17,18)
InChIKeyPCLAGWMDJSABMS-UHFFFAOYSA-N
XLogP2.63
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 52.63
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-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2792836
5-bromo-4-[(2E)-2-[(2,3,6-trichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7453676
5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7200245
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
5-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789166
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
5-chloro-4-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110338557
5-bromo-4-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7200282
5-bromo-4-[(2Z)-2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 42558341
5-bromo-4-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2793044
5-chloro-4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
CID 135606125
5-bromo-4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135874161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 71967341) is 5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(NN=Cc2ccccc2Cl)c1Br.
What is the InChIKey of 5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is PCLAGWMDJSABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4O/c12-10-9(6-15-17-11(10)18)16-14-5-7-3-1-2-4-8(7)13/h1-6H,(H2,16,17,18).
What are the key properties of 5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-bromo-4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 327.57 g/mol, XLogP of 2.63, 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-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 71967341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).