4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline

C12H8FN5O4 — CID 155141679

IUPAC4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline
SMILESNc1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H8FN5O4/c13-9-5-10(12(18(21)22)6-11(9)17(19)20)16-15-8-3-1-7(14)2-4-8/h1-6H,14H2/b16-15+
InChIKeyDSDYKKZZULUCEO-FOCLMDBBSA-N
MW305.23 g/mol
LogP3.64
Rot. Bonds4

About 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline

4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline (PubChem CID 155141679) has the molecular formula C12H8FN5O4 and a molecular weight of 305.23 g/mol. Its IUPAC name is 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline
PubChem CID155141679
Molecular FormulaC12H8FN5O4
Molecular Weight305.23 g/mol
Exact Mass305.06
IUPAC Name4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline
SMILESNc1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H8FN5O4/c13-9-5-10(12(18(21)22)6-11(9)17(19)20)16-15-8-3-1-7(14)2-4-8/h1-6H,14H2/b16-15+
InChIKeyDSDYKKZZULUCEO-FOCLMDBBSA-N
XLogP3.64
TPSA137.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline 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

(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline
CID 165358995
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-[(E)-2-(3-fluoro-4-nitrophenyl)ethenyl]aniline
CID 59085127
2-[(4-nitrophenyl)diazenyl]aniline
CID 18955864
5-methoxy-2-nitro-4-phenyldiazenylaniline
CID 21393323
N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide
CID 155150461
2-bromo-5-fluoro-4-nitroaniline
CID 57488513
4-amino-2-fluoro-5-nitrobenzoate
CID 59785336
1,4-difluoro-2-isothiocyanato-5-nitrobenzene
CID 22748331
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline?
The IUPAC name of 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline (CID 155141679) is 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline.
What is the SMILES notation for 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline?
The canonical SMILES for 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline is Nc1ccc(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline?
The InChIKey is DSDYKKZZULUCEO-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8FN5O4/c13-9-5-10(12(18(21)22)6-11(9)17(19)20)16-15-8-3-1-7(14)2-4-8/h1-6H,14H2/b16-15+.
What are the key properties of 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline?
4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline has a molecular weight of 305.23 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline is sourced from PubChem (CID 155141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).