N-[(2-fluorophenyl)diazenyl]-3-nitroaniline

C12H9FN4O2 — CID 71405454

IUPACN-[(2-fluorophenyl)diazenyl]-3-nitroaniline
SMILESO=[N+]([O-])c1cccc(N/N=N/c2ccccc2F)c1
InChIInChI=1S/C12H9FN4O2/c13-11-6-1-2-7-12(11)15-16-14-9-4-3-5-10(8-9)17(18)19/h1-8H,(H,14,15)
InChIKeyGLGIUDBCPPWBLI-UHFFFAOYSA-N
MW260.23 g/mol
LogP3.84
Rot. Bonds4

About N-[(2-fluorophenyl)diazenyl]-3-nitroaniline

N-[(2-fluorophenyl)diazenyl]-3-nitroaniline (PubChem CID 71405454) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is N-[(2-fluorophenyl)diazenyl]-3-nitroaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)diazenyl]-3-nitroaniline
PubChem CID71405454
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC NameN-[(2-fluorophenyl)diazenyl]-3-nitroaniline
SMILESO=[N+]([O-])c1cccc(N/N=N/c2ccccc2F)c1
InChIInChI=1S/C12H9FN4O2/c13-11-6-1-2-7-12(11)15-16-14-9-4-3-5-10(8-9)17(18)19/h1-8H,(H,14,15)
InChIKeyGLGIUDBCPPWBLI-UHFFFAOYSA-N
XLogP3.84
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-[(2-bromophenyl)diazenyl]-3-nitroaniline
CID 2828924
ethyl 2-[(3-nitroanilino)diazenyl]benzoate
CID 2828929
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
CID 58015538
CID 58015538
3-nitro-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
CID 3634542
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-3-nitroaniline
CID 9077545
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787
3-(3-nitroanilino)propanamide
CID 21238871
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-3-nitroaniline
CID 9077213
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)diazenyl]-3-nitroaniline?
The IUPAC name of N-[(2-fluorophenyl)diazenyl]-3-nitroaniline (CID 71405454) is N-[(2-fluorophenyl)diazenyl]-3-nitroaniline.
What is the SMILES notation for N-[(2-fluorophenyl)diazenyl]-3-nitroaniline?
The canonical SMILES for N-[(2-fluorophenyl)diazenyl]-3-nitroaniline is O=[N+]([O-])c1cccc(N/N=N/c2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)diazenyl]-3-nitroaniline?
The InChIKey is GLGIUDBCPPWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c13-11-6-1-2-7-12(11)15-16-14-9-4-3-5-10(8-9)17(18)19/h1-8H,(H,14,15).
What are the key properties of N-[(2-fluorophenyl)diazenyl]-3-nitroaniline?
N-[(2-fluorophenyl)diazenyl]-3-nitroaniline has a molecular weight of 260.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)diazenyl]-3-nitroaniline is sourced from PubChem (CID 71405454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).