2,5-dinitro-9H-fluorene

C13H8N2O4 — CID 27047

IUPAC2,5-dinitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cccc([N+](=O)[O-])c1-2
InChIInChI=1S/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2
InChIKeyXHAHNUAISBGLEX-UHFFFAOYSA-N
MW256.22 g/mol
LogP3.07
Rot. Bonds2

About 2,5-dinitro-9H-fluorene

2,5-dinitro-9H-fluorene (PubChem CID 27047) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2,5-dinitro-9H-fluorene.

Molecular Properties

Compound Name2,5-dinitro-9H-fluorene
PubChem CID27047
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name2,5-dinitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cccc([N+](=O)[O-])c1-2
InChIInChI=1S/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2
InChIKeyXHAHNUAISBGLEX-UHFFFAOYSA-N
XLogP3.07
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Nitro-1,1'-biphenyl
CID 7114
5-Nitroacenaphthene
CID 11769
1-Nitronaphthalene
CID 6849
2-Nitrofluorene
CID 11831
3-Nitrofluoranthene
CID 13462
4-Nitro-o-xylene
CID 7440
2-Nitronaphthalene
CID 11392
2-Nitroso-9H-fluorene
CID 17271
4,4'-Dinitro-1,1'-biphenyl
CID 15216
1,8-Dinitronaphthalene
CID 11764
1,5-Dinitronaphthalene
CID 11803
3,9-Dinitrofluoranthene
CID 31186

Frequently Asked Questions

What is the IUPAC name of 2,5-dinitro-9H-fluorene?
The IUPAC name of 2,5-dinitro-9H-fluorene (CID 27047) is 2,5-dinitro-9H-fluorene.
What is the SMILES notation for 2,5-dinitro-9H-fluorene?
The canonical SMILES for 2,5-dinitro-9H-fluorene is O=[N+]([O-])c1ccc2c(c1)Cc1cccc([N+](=O)[O-])c1-2.
What is the InChIKey of 2,5-dinitro-9H-fluorene?
The InChIKey is XHAHNUAISBGLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2.
What are the key properties of 2,5-dinitro-9H-fluorene?
2,5-dinitro-9H-fluorene has a molecular weight of 256.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinitro-9H-fluorene is sourced from PubChem (CID 27047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).