4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

C13H8Cl3N3O3 — CID 135514277

IUPAC4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3N3O3/c14-8-4-10(15)13(11(16)5-8)18-17-6-7-3-9(19(21)22)1-2-12(7)20/h1-6,18,20H/b17-6+
InChIKeyYPBUWTWKCNBCRV-UBKPWBPPSA-N
MW360.58 g/mol
LogP4.71
Rot. Bonds4

About 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135514277) has the molecular formula C13H8Cl3N3O3 and a molecular weight of 360.58 g/mol. Its IUPAC name is 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
PubChem CID135514277
Molecular FormulaC13H8Cl3N3O3
Molecular Weight360.58 g/mol
Exact Mass358.96
IUPAC Name4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl3N3O3/c14-8-4-10(15)13(11(16)5-8)18-17-6-7-3-9(19(21)22)1-2-12(7)20/h1-6,18,20H/b17-6+
InChIKeyYPBUWTWKCNBCRV-UBKPWBPPSA-N
XLogP4.71
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135759833
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
CID 3448600
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
2-(2,4-dichloro-6-nitrophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135419524
N-(2,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
CID 135560331

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (CID 135514277) is 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(O)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is YPBUWTWKCNBCRV-UBKPWBPPSA-N. The full InChI is InChI=1S/C13H8Cl3N3O3/c14-8-4-10(15)13(11(16)5-8)18-17-6-7-3-9(19(21)22)1-2-12(7)20/h1-6,18,20H/b17-6+.
What are the key properties of 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 360.58 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135514277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).