2-nitro-9H-fluorene

C13H9NO2 — CID 11831

IUPAC2-nitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKeyXFOHWECQTFIEIX-UHFFFAOYSA-N
MW211.22 g/mol
LogP3.17
Rot. Bonds1

About 2-nitro-9H-fluorene

2-nitro-9H-fluorene (PubChem CID 11831) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-nitro-9H-fluorene.

Molecular Properties

Compound Name2-nitro-9H-fluorene
PubChem CID11831
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name2-nitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKeyXFOHWECQTFIEIX-UHFFFAOYSA-N
XLogP3.17
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-nitro-9H-fluorene?
The IUPAC name of 2-nitro-9H-fluorene (CID 11831) is 2-nitro-9H-fluorene.
What is the SMILES notation for 2-nitro-9H-fluorene?
The canonical SMILES for 2-nitro-9H-fluorene is O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-nitro-9H-fluorene?
The InChIKey is XFOHWECQTFIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2.
What are the key properties of 2-nitro-9H-fluorene?
2-nitro-9H-fluorene has a molecular weight of 211.22 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-9H-fluorene is sourced from PubChem (CID 11831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).