2,7-dinitro-9H-fluorene

C13H8N2O4 — CID 21502

IUPAC2,7-dinitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C13H8N2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7H,5H2
InChIKeyIHZCVUBSTYOFSJ-UHFFFAOYSA-N
MW256.22 g/mol
LogP3.07
Rot. Bonds2

About 2,7-dinitro-9H-fluorene

2,7-dinitro-9H-fluorene (PubChem CID 21502) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2,7-dinitro-9H-fluorene.

Molecular Properties

Compound Name2,7-dinitro-9H-fluorene
PubChem CID21502
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name2,7-dinitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C13H8N2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7H,5H2
InChIKeyIHZCVUBSTYOFSJ-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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Frequently Asked Questions

What is the IUPAC name of 2,7-dinitro-9H-fluorene?
The IUPAC name of 2,7-dinitro-9H-fluorene (CID 21502) is 2,7-dinitro-9H-fluorene.
What is the SMILES notation for 2,7-dinitro-9H-fluorene?
The canonical SMILES for 2,7-dinitro-9H-fluorene is O=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of 2,7-dinitro-9H-fluorene?
The InChIKey is IHZCVUBSTYOFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7H,5H2.
What are the key properties of 2,7-dinitro-9H-fluorene?
2,7-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 2,7-dinitro-9H-fluorene is sourced from PubChem (CID 21502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).