3-bromo-7-nitro-9H-fluoren-2-amine

C13H9BrN2O2 — CID 125496214

IUPAC3-bromo-7-nitro-9H-fluoren-2-amine
SMILESNc1cc2c(cc1Br)-c1ccc([N+](=O)[O-])cc1C2
InChIInChI=1S/C13H9BrN2O2/c14-12-6-11-8(5-13(12)15)3-7-4-9(16(17)18)1-2-10(7)11/h1-2,4-6H,3,15H2
InChIKeyKZPNEMVRORBRJW-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.51
Rot. Bonds1

About 3-bromo-7-nitro-9H-fluoren-2-amine

3-bromo-7-nitro-9H-fluoren-2-amine (PubChem CID 125496214) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 3-bromo-7-nitro-9H-fluoren-2-amine.

Molecular Properties

Compound Name3-bromo-7-nitro-9H-fluoren-2-amine
PubChem CID125496214
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name3-bromo-7-nitro-9H-fluoren-2-amine
SMILESNc1cc2c(cc1Br)-c1ccc([N+](=O)[O-])cc1C2
InChIInChI=1S/C13H9BrN2O2/c14-12-6-11-8(5-13(12)15)3-7-4-9(16(17)18)1-2-10(7)11/h1-2,4-6H,3,15H2
InChIKeyKZPNEMVRORBRJW-UHFFFAOYSA-N
XLogP3.51
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 3-bromo-7-nitro-9H-fluoren-2-amine?
The IUPAC name of 3-bromo-7-nitro-9H-fluoren-2-amine (CID 125496214) is 3-bromo-7-nitro-9H-fluoren-2-amine.
What is the SMILES notation for 3-bromo-7-nitro-9H-fluoren-2-amine?
The canonical SMILES for 3-bromo-7-nitro-9H-fluoren-2-amine is Nc1cc2c(cc1Br)-c1ccc([N+](=O)[O-])cc1C2.
What is the InChIKey of 3-bromo-7-nitro-9H-fluoren-2-amine?
The InChIKey is KZPNEMVRORBRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-12-6-11-8(5-13(12)15)3-7-4-9(16(17)18)1-2-10(7)11/h1-2,4-6H,3,15H2.
What are the key properties of 3-bromo-7-nitro-9H-fluoren-2-amine?
3-bromo-7-nitro-9H-fluoren-2-amine has a molecular weight of 305.13 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-nitro-9H-fluoren-2-amine is sourced from PubChem (CID 125496214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).