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

C11H7BrCl2N4O — CID 2792836

IUPAC5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=Cc2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C11H7BrCl2N4O/c12-10-9(5-16-18-11(10)19)17-15-4-6-1-2-7(13)3-8(6)14/h1-5H,(H2,17,18,19)
InChIKeyDVOLWDDHURRQRY-UHFFFAOYSA-N
MW362.01 g/mol
LogP3.29
Rot. Bonds3

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

5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 2792836) has the molecular formula C11H7BrCl2N4O and a molecular weight of 362.01 g/mol. Its IUPAC name is 5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID2792836
Molecular FormulaC11H7BrCl2N4O
Molecular Weight362.01 g/mol
Exact Mass359.92
IUPAC Name5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NN=Cc2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C11H7BrCl2N4O/c12-10-9(5-16-18-11(10)19)17-15-4-6-1-2-7(13)3-8(6)14/h1-5H,(H2,17,18,19)
InChIKeyDVOLWDDHURRQRY-UHFFFAOYSA-N
XLogP3.29
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.01
LogP ≤ 53.29
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-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689798
5-bromo-4-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7200245
5-chloro-4-[(2E)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689804
3-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135450335
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
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-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
3-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773796
5-bromo-4-[(2Z)-2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 42558341

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 2792836) is 5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(NN=Cc2ccc(Cl)cc2Cl)c1Br.
What is the InChIKey of 5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is DVOLWDDHURRQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N4O/c12-10-9(5-16-18-11(10)19)17-15-4-6-1-2-7(13)3-8(6)14/h1-5H,(H2,17,18,19).
What are the key properties of 5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 362.01 g/mol, XLogP of 3.29, 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-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 2792836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).