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

C11H8ClN5O3 — CID 135406122

IUPAC2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(C=NNc2ccc(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)
InChIKeyRXUSEZZZIHWVMC-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.19
Rot. Bonds4

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

2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 135406122) has the molecular formula C11H8ClN5O3 and a molecular weight of 293.67 g/mol. Its IUPAC name is 2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID135406122
Molecular FormulaC11H8ClN5O3
Molecular Weight293.67 g/mol
Exact Mass293.03
IUPAC Name2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(C=NNc2ccc(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)
InChIKeyRXUSEZZZIHWVMC-UHFFFAOYSA-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

2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
CID 3448600
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135759833
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135514277
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136859970
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol (CID 135406122) is 2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(C=NNc2ccc(Cl)nn2)c1.
What is the InChIKey of 2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is RXUSEZZZIHWVMC-UHFFFAOYSA-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).
What are the key properties of 2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol?
2-[[(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-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 135406122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).