2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C15H10Cl2F3N3O3 — CID 135520632

IUPAC2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2F3N3O3/c1-22(21-7-8-4-10(16)6-11(17)14(8)24)12-3-2-9(15(18,19)20)5-13(12)23(25)26/h2-7,24H,1H3/b21-7+
InChIKeyQDNVISPPELMUHY-QPSGOUHRSA-N
MW408.16 g/mol
LogP5.10
Rot. Bonds4

About 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 135520632) has the molecular formula C15H10Cl2F3N3O3 and a molecular weight of 408.16 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID135520632
Molecular FormulaC15H10Cl2F3N3O3
Molecular Weight408.16 g/mol
Exact Mass407.01
IUPAC Name2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2F3N3O3/c1-22(21-7-8-4-10(16)6-11(17)14(8)24)12-3-2-9(15(18,19)20)5-13(12)23(25)26/h2-7,24H,1H3/b21-7+
InChIKeyQDNVISPPELMUHY-QPSGOUHRSA-N
XLogP5.10
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.16
LogP ≤ 55.10
H-Bond Donors ≤ 51
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'}

Analyze 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-6-[[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 2804708
2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 136897084
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
(NZ)-N-[[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
CID 126083188
1,3,5-trichloro-2-[2-nitro-5-(trifluoromethyl)phenyl]benzene
CID 134621035
2-methyl-2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]propanoic acid
CID 62818914
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
3-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]propanoic acid
CID 60987310
2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3382643
ethyl 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]acetate
CID 23255854
N-cyclohexyl-N-methyl-2-nitro-4-(trifluoromethyl)aniline
CID 2921239

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 135520632) is 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is CN(/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is QDNVISPPELMUHY-QPSGOUHRSA-N. The full InChI is InChI=1S/C15H10Cl2F3N3O3/c1-22(21-7-8-4-10(16)6-11(17)14(8)24)12-3-2-9(15(18,19)20)5-13(12)23(25)26/h2-7,24H,1H3/b21-7+.
What are the key properties of 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 408.16 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135520632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).