2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

C14H10F3N3O3 — CID 5122448

IUPAC2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccc(C=NNc2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)10-4-2-5-11(7-10)19-18-8-9-3-1-6-12(13(9)21)20(22)23/h1-8,19,21H
InChIKeyGOXDARKVXZAZKK-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.77
Rot. Bonds4

About 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol

2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (PubChem CID 5122448) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
PubChem CID5122448
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Name2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccc(C=NNc2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)10-4-2-5-11(7-10)19-18-8-9-3-1-6-12(13(9)21)20(22)23/h1-8,19,21H
InChIKeyGOXDARKVXZAZKK-UHFFFAOYSA-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'}

Analyze 2-nitro-6-[[[3-(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-nitro-6-[(E)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137060145
2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135642279
2-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 135678799
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
2-nitro-6-[(phenylhydrazinylidene)methyl]-4-(trifluoromethoxy)phenol
CID 169383722
1-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-phenylurea
CID 137076602
3-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6294934
N-[(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841650
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
N-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841639
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol (CID 5122448) is 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cccc(C=NNc2cccc(C(F)(F)F)c2)c1O.
What is the InChIKey of 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
The InChIKey is GOXDARKVXZAZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c15-14(16,17)10-4-2-5-11(7-10)19-18-8-9-3-1-6-12(13(9)21)20(22)23/h1-8,19,21H.
What are the key properties of 2-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol?
2-nitro-6-[[[3-(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-nitro-6-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 5122448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).