2,6-dinitrofluoren-1-one

C13H6N2O5 — CID 88650955

IUPAC2,6-dinitrofluoren-1-one
SMILESO=C1C2=Cc3ccc([N+](=O)[O-])cc3C2=CC=C1[N+](=O)[O-]
InChIInChI=1S/C13H6N2O5/c16-13-11-5-7-1-2-8(14(17)18)6-10(7)9(11)3-4-12(13)15(19)20/h1-6H
InChIKeyLHMCXCYIXXAUBH-UHFFFAOYSA-N
MW270.20 g/mol
LogP2.12
Rot. Bonds2

About 2,6-dinitrofluoren-1-one

2,6-dinitrofluoren-1-one (PubChem CID 88650955) has the molecular formula C13H6N2O5 and a molecular weight of 270.20 g/mol. Its IUPAC name is 2,6-dinitrofluoren-1-one.

Molecular Properties

Compound Name2,6-dinitrofluoren-1-one
PubChem CID88650955
Molecular FormulaC13H6N2O5
Molecular Weight270.20 g/mol
Exact Mass270.03
IUPAC Name2,6-dinitrofluoren-1-one
SMILESO=C1C2=Cc3ccc([N+](=O)[O-])cc3C2=CC=C1[N+](=O)[O-]
InChIInChI=1S/C13H6N2O5/c16-13-11-5-7-1-2-8(14(17)18)6-10(7)9(11)3-4-12(13)15(19)20/h1-6H
InChIKeyLHMCXCYIXXAUBH-UHFFFAOYSA-N
XLogP2.12
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2,7-dinitrofluoren-1-one
CID 86586492
2,3-dichloro-6-nitronaphthalene-1,4-dione
CID 12883018
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
2-chloro-6-nitronaphthalene-1,4-dione
CID 151632468
2,3,3-trimethyl-6-nitroisoindol-1-one
CID 58289918
1,3,7-trinitrofluoren-9-one
CID 3117442
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
2,3-bis(2,2-dimethylpropoxy)-6-nitronaphthalene-1,4-dione
CID 23038722
5-hydroxy-2-nitrofluoren-9-one
CID 5324263
1-ethenyl-9H-carbazole;2,4,7-trinitrofluoren-1-one
CID 87228474
2,6-dinitro-9H-fluorene
CID 3582885
7-nitropyrazolo[1,5-b]isoindol-5-one
CID 102077190

Frequently Asked Questions

What is the IUPAC name of 2,6-dinitrofluoren-1-one?
The IUPAC name of 2,6-dinitrofluoren-1-one (CID 88650955) is 2,6-dinitrofluoren-1-one.
What is the SMILES notation for 2,6-dinitrofluoren-1-one?
The canonical SMILES for 2,6-dinitrofluoren-1-one is O=C1C2=Cc3ccc([N+](=O)[O-])cc3C2=CC=C1[N+](=O)[O-].
What is the InChIKey of 2,6-dinitrofluoren-1-one?
The InChIKey is LHMCXCYIXXAUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N2O5/c16-13-11-5-7-1-2-8(14(17)18)6-10(7)9(11)3-4-12(13)15(19)20/h1-6H.
What are the key properties of 2,6-dinitrofluoren-1-one?
2,6-dinitrofluoren-1-one has a molecular weight of 270.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinitrofluoren-1-one is sourced from PubChem (CID 88650955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).