(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene

C12H6FN5O6 — CID 102292228

IUPAC(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(F)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H6FN5O6/c13-9-3-1-7(5-11(9)17(21)22)14-15-10-4-2-8(16(19)20)6-12(10)18(23)24/h1-6H/b15-14+
InChIKeyOHOZPZVBGQKGDZ-CCEZHUSRSA-N
MW335.21 g/mol
LogP3.97
Rot. Bonds5

About (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene

(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene (PubChem CID 102292228) has the molecular formula C12H6FN5O6 and a molecular weight of 335.21 g/mol. Its IUPAC name is (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene.

Molecular Properties

Compound Name(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
PubChem CID102292228
Molecular FormulaC12H6FN5O6
Molecular Weight335.21 g/mol
Exact Mass335.03
IUPAC Name(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(F)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H6FN5O6/c13-9-3-1-7(5-11(9)17(21)22)14-15-10-4-2-8(16(19)20)6-12(10)18(23)24/h1-6H/b15-14+
InChIKeyOHOZPZVBGQKGDZ-CCEZHUSRSA-N
XLogP3.97
TPSA154.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
4-[(5-fluoro-2,4-dinitrophenyl)diazenyl]aniline
CID 155141679
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071
(2,4-dinitrophenyl)-[3-methoxy-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]diazene
CID 59006096
4-azido-1-(18F)fluoro-2-nitrobenzene
CID 10607486
4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline
CID 165358995
4-[(2,4-dinitrophenyl)diazenyl]naphthalene-1,8-diol
CID 3094136
SODIUM 4-(4-(2,4-DINITRO-PHENYLAMINO)-2-NITRO-PHENYLAZO)-BENZENESULFONATE
CID 126959950
N'-(2,4-dinitrophenyl)methanimidamide
CID 89273511
2,3-dimethylbuta-1,3-dienyl-(2,4-dinitrophenyl)diazene
CID 131880074
(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene
CID 15129643
(2,4-dinitrophenyl)-(5-morpholin-4-ylthiophen-2-yl)diazene
CID 27102282

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene?
The IUPAC name of (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene (CID 102292228) is (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene.
What is the SMILES notation for (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene?
The canonical SMILES for (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene is O=[N+]([O-])c1ccc(/N=N/c2ccc(F)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1.
What is the InChIKey of (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene?
The InChIKey is OHOZPZVBGQKGDZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H6FN5O6/c13-9-3-1-7(5-11(9)17(21)22)14-15-10-4-2-8(16(19)20)6-12(10)18(23)24/h1-6H/b15-14+.
What are the key properties of (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene?
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene has a molecular weight of 335.21 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene is sourced from PubChem (CID 102292228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).