4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol

C14H8Cl2F3N3O3 — CID 135717234

IUPAC4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1O
InChIInChI=1S/C14H8Cl2F3N3O3/c15-9-3-7(13(23)12(5-9)22(24)25)6-20-21-11-4-8(14(17,18)19)1-2-10(11)16/h1-6,21,23H/b20-6+
InChIKeyCFUYWHFXPCKLMS-CGOBSMCZSA-N
MW394.14 g/mol
LogP5.07
Rot. Bonds4

About 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol

4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol (PubChem CID 135717234) has the molecular formula C14H8Cl2F3N3O3 and a molecular weight of 394.14 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol
PubChem CID135717234
Molecular FormulaC14H8Cl2F3N3O3
Molecular Weight394.14 g/mol
Exact Mass392.99
IUPAC Name4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1O
InChIInChI=1S/C14H8Cl2F3N3O3/c15-9-3-7(13(23)12(5-9)22(24)25)6-20-21-11-4-8(14(17,18)19)1-2-10(11)16/h1-6,21,23H/b20-6+
InChIKeyCFUYWHFXPCKLMS-CGOBSMCZSA-N
XLogP5.07
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.14
LogP ≤ 55.07
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

N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 135615039
Benzaldehyde, 2-hydroxy-5-nitro-, 2-chlorophenylhydrazone
CID 135439761
4-chloro-2-[(E)-(dimethylhydrazinylidene)methyl]-6-nitrophenol
CID 135401304
2-[(E)-(tert-butylhydrazinylidene)methyl]-4-chloro-6-nitrophenol;hydrochloride
CID 135401300
4-chloro-2-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135520656
4-Chloro-2-[(E)-[(4-fluorophenyl)imino]methyl]-6-nitrophenol
CID 689458
4-chloro-2-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenol
CID 135403132
4-Chloro-2-{[(3-chloro-4-methylphenyl)imino]methyl}-6-nitrophenol
CID 3529933
4-Chloro-2-[(E)-[(4-chloro-3-nitrophenyl)methylidene]amino]phenol
CID 3674821
4-Chloro-2-[(E)-[(3-methylphenyl)imino]methyl]-6-nitrophenol
CID 689838
4-Chloro-2-[(E)-[(4-methylphenyl)imino]methyl]-6-nitrophenol
CID 690140
4-Chloro-2-[(3-fluorophenyl)iminomethyl]-6-nitrophenol
CID 867230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol (CID 135717234) is 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2cc(C(F)(F)F)ccc2Cl)c1O.
What is the InChIKey of 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol?
The InChIKey is CFUYWHFXPCKLMS-CGOBSMCZSA-N. The full InChI is InChI=1S/C14H8Cl2F3N3O3/c15-9-3-7(13(23)12(5-9)22(24)25)6-20-21-11-4-8(14(17,18)19)1-2-10(11)16/h1-6,21,23H/b20-6+.
What are the key properties of 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol?
4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol has a molecular weight of 394.14 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol is sourced from PubChem (CID 135717234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).