N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine

C13H8FN3O4 — CID 5105784

IUPACN-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C13H8FN3O4/c14-12-5-4-11(17(20)21)7-13(12)15-8-9-2-1-3-10(6-9)16(18)19/h1-8H/b15-8+
InChIKeyHKIHZPVIGCAZJU-OVCLIPMQSA-N
MW289.22 g/mol
LogP3.39
Rot. Bonds4

About N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine

N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine (PubChem CID 5105784) has the molecular formula C13H8FN3O4 and a molecular weight of 289.22 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine
PubChem CID5105784
Molecular FormulaC13H8FN3O4
Molecular Weight289.22 g/mol
Exact Mass289.05
IUPAC NameN-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N/c2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C13H8FN3O4/c14-12-5-4-11(17(20)21)7-13(12)15-8-9-2-1-3-10(6-9)16(18)19/h1-8H/b15-8+
InChIKeyHKIHZPVIGCAZJU-OVCLIPMQSA-N
XLogP3.39
TPSA98.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine 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

N-(2,4-difluorophenyl)-1-(3-nitrophenyl)methanimine
CID 122707231
cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
CID 46196484
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
CID 927284
4-[(3-nitrophenyl)methylideneamino]benzonitrile
CID 67289282
1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
CID 692052
3-[(3-nitrophenyl)methylideneamino]benzoic acid
CID 961392
N-[(3-nitrophenyl)methylideneamino]propan-2-imine
CID 778583
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
2-[(3-nitrophenyl)methylideneamino]propanoic acid
CID 122707222
4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol
CID 690293
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine (CID 5105784) is N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/C=N/c2cc([N+](=O)[O-])ccc2F)c1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine?
The InChIKey is HKIHZPVIGCAZJU-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H8FN3O4/c14-12-5-4-11(17(20)21)7-13(12)15-8-9-2-1-3-10(6-9)16(18)19/h1-8H/b15-8+.
What are the key properties of N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine?
N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine has a molecular weight of 289.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 5105784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).