2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol

C14H10F3N3O4 — CID 169383722

IUPAC2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol
SMILESO=[N+]([O-])c1cc(OC(F)(F)F)cc(C=NNc2ccccc2)c1O
InChIInChI=1S/C14H10F3N3O4/c15-14(16,17)24-11-6-9(13(21)12(7-11)20(22)23)8-18-19-10-4-2-1-3-5-10/h1-8,19,21H
InChIKeyLUGUUUFFWUJFEP-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.64
Rot. Bonds5

About 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol

2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol (PubChem CID 169383722) has the molecular formula C14H10F3N3O4 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol
PubChem CID169383722
Molecular FormulaC14H10F3N3O4
Molecular Weight341.25 g/mol
Exact Mass341.06
IUPAC Name2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol
SMILESO=[N+]([O-])c1cc(OC(F)(F)F)cc(C=NNc2ccccc2)c1O
InChIInChI=1S/C14H10F3N3O4/c15-14(16,17)24-11-6-9(13(21)12(7-11)20(22)23)8-18-19-10-4-2-1-3-5-10/h1-8,19,21H
InChIKeyLUGUUUFFWUJFEP-UHFFFAOYSA-N
XLogP3.64
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
2-hydroxy-3-nitro-5-(trifluoromethoxy)benzaldehyde
CID 139023987
2-bromo-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 139061463
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 5122448
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
2-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
2-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4,6-dinitrophenol
CID 135833934
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135891680
N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382672

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol (CID 169383722) is 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol is O=[N+]([O-])c1cc(OC(F)(F)F)cc(C=NNc2ccccc2)c1O.
What is the InChIKey of 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol?
The InChIKey is LUGUUUFFWUJFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O4/c15-14(16,17)24-11-6-9(13(21)12(7-11)20(22)23)8-18-19-10-4-2-1-3-5-10/h1-8,19,21H.
What are the key properties of 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol?
2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol has a molecular weight of 341.25 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 169383722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).