2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C14H10F3N3O3 — CID 136890962

IUPAC2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccccc1O
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)10-5-6-11(12(7-10)20(22)23)19-18-8-9-3-1-2-4-13(9)21/h1-8,19,21H/b18-8-
InChIKeyNVCYSDPCCJZRTO-LSCVHKIXSA-N
MW325.25 g/mol
LogP3.77
Rot. Bonds4

About 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 136890962) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID136890962
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Name2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccccc1O
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)10-5-6-11(12(7-10)20(22)23)19-18-8-9-3-1-2-4-13(9)21/h1-8,19,21H/b18-8-
InChIKeyNVCYSDPCCJZRTO-LSCVHKIXSA-N
XLogP3.77
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.77
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-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
(Z)-1-(2-methoxybenzylidene)-2-(2-nitrophenyl)hydrazine
CID 5904845
2-[(2,4-Dinitro-phenyl)-hydrazonomethyl]-4-nitro-phenol
CID 135537481
2-{1-[(2-Nitro-phenyl)-hydrazono]-ethyl}-phenol
CID 135537585
4-{(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-3-nitrobenzonitrile
CID 135643006
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
4-{(1E)-1-[2-(2-nitrophenyl)hydrazinylidene]propyl}phenol
CID 135455069
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
2-[[(3-Nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 274053
N-(4-Methoxy-benzylidene)-N'-(2-nitro-4-trifluoromethyl-phenyl)-hydrazine
CID 9589649
2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135401303

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 136890962) is 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C\c1ccccc1O.
What is the InChIKey of 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is NVCYSDPCCJZRTO-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c15-14(16,17)10-5-6-11(12(7-10)20(22)23)19-18-8-9-3-1-2-4-13(9)21/h1-8,19,21H/b18-8-.
What are the key properties of 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol has a molecular weight of 325.25 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136890962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).