2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol

C11H8ClN5O3 — CID 135400342

IUPAC2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H8ClN5O3/c12-10-3-4-11(16-14-10)15-13-6-7-5-8(17(19)20)1-2-9(7)18/h1-6,18H,(H,15,16)/b13-6+
InChIKeyRXUSEZZZIHWVMC-AWNIVKPZSA-N
MW293.67 g/mol
LogP2.19
Rot. Bonds4

About 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol

2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 135400342) has the molecular formula C11H8ClN5O3 and a molecular weight of 293.67 g/mol. Its IUPAC name is 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID135400342
Molecular FormulaC11H8ClN5O3
Molecular Weight293.67 g/mol
Exact Mass293.03
IUPAC Name2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H8ClN5O3/c12-10-3-4-11(16-14-10)15-13-6-7-5-8(17(19)20)1-2-9(7)18/h1-6,18H,(H,15,16)/b13-6+
InChIKeyRXUSEZZZIHWVMC-AWNIVKPZSA-N
XLogP2.19
TPSA113.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde, 2-hydroxy-5-nitro-, 2-chlorophenylhydrazone
CID 135439761
2-[(E)-N-[(6-chloropyridazin-3-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135676224
3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 9614576
2-((2-(6-Chloropyridazin-3-yl)hydrazineylidene)methyl)phenol
CID 135613377
2-[[(6-Chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122
3-[[(6-Chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 6810980
2-[N-[(6-chloropyridazin-3-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135436106
4-chloro-2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135606779
2-[[(2-Chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 136069835
2-[(Z)-[2-(6-Chloropyridazin-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 135939542
2-Hydroxy-5-nitrobenzaldehyde (4-chlorobenzyl)hydrazone
CID 171979038
2-[(6-Chloropyridazin-3-yl)-diazenylmethyl]-4-nitrophenol
CID 91015957

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol (CID 135400342) is 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Cl)nn2)c1.
What is the InChIKey of 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is RXUSEZZZIHWVMC-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H8ClN5O3/c12-10-3-4-11(16-14-10)15-13-6-7-5-8(17(19)20)1-2-9(7)18/h1-6,18H,(H,15,16)/b13-6+.
What are the key properties of 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol has a molecular weight of 293.67 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 135400342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).