2-bromofluoren-9-imine

C13H8BrN — CID 70248477

IUPAC2-bromofluoren-9-imine
SMILES[H]/N=C1\c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H8BrN/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,15H/b15-13+
InChIKeyKEMVABPCEVXIIC-FYWRMAATSA-N
MW258.12 g/mol
LogP3.85
Rot. Bonds

About 2-bromofluoren-9-imine

2-bromofluoren-9-imine (PubChem CID 70248477) has the molecular formula C13H8BrN and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-bromofluoren-9-imine.

Molecular Properties

Compound Name2-bromofluoren-9-imine
PubChem CID70248477
Molecular FormulaC13H8BrN
Molecular Weight258.12 g/mol
Exact Mass256.98
IUPAC Name2-bromofluoren-9-imine
SMILES[H]/N=C1\c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H8BrN/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,15H/b15-13+
InChIKeyKEMVABPCEVXIIC-FYWRMAATSA-N
XLogP3.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-bromofluoren-9-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromofluoren-9-imine?
The IUPAC name of 2-bromofluoren-9-imine (CID 70248477) is 2-bromofluoren-9-imine.
What is the SMILES notation for 2-bromofluoren-9-imine?
The canonical SMILES for 2-bromofluoren-9-imine is [H]/N=C1\c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromofluoren-9-imine?
The InChIKey is KEMVABPCEVXIIC-FYWRMAATSA-N. The full InChI is InChI=1S/C13H8BrN/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,15H/b15-13+.
What are the key properties of 2-bromofluoren-9-imine?
2-bromofluoren-9-imine has a molecular weight of 258.12 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromofluoren-9-imine is sourced from PubChem (CID 70248477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).