2-bromo-7-nitro-9H-fluorene

C13H8BrNO2 — CID 23127

IUPAC2-bromo-7-nitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C13H8BrNO2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5H2
InChIKeyQTQRHYLAOSURLC-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.93
Rot. Bonds1

About 2-bromo-7-nitro-9H-fluorene

2-bromo-7-nitro-9H-fluorene (PubChem CID 23127) has the molecular formula C13H8BrNO2 and a molecular weight of 290.12 g/mol. Its IUPAC name is 2-bromo-7-nitro-9H-fluorene.

Molecular Properties

Compound Name2-bromo-7-nitro-9H-fluorene
PubChem CID23127
Molecular FormulaC13H8BrNO2
Molecular Weight290.12 g/mol
Exact Mass288.97
IUPAC Name2-bromo-7-nitro-9H-fluorene
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C13H8BrNO2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5H2
InChIKeyQTQRHYLAOSURLC-UHFFFAOYSA-N
XLogP3.93
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.93
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-bromo-7-nitro-9H-fluorene?
The IUPAC name of 2-bromo-7-nitro-9H-fluorene (CID 23127) is 2-bromo-7-nitro-9H-fluorene.
What is the SMILES notation for 2-bromo-7-nitro-9H-fluorene?
The canonical SMILES for 2-bromo-7-nitro-9H-fluorene is O=[N+]([O-])c1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of 2-bromo-7-nitro-9H-fluorene?
The InChIKey is QTQRHYLAOSURLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5H2.
What are the key properties of 2-bromo-7-nitro-9H-fluorene?
2-bromo-7-nitro-9H-fluorene has a molecular weight of 290.12 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-nitro-9H-fluorene is sourced from PubChem (CID 23127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).