9-bromoacridine

C13H8BrN — CID 15588290

IUPAC9-bromoacridine
SMILESBrc1c2ccccc2nc2ccccc12
InChIInChI=1S/C13H8BrN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKeyNNTFCRCMYKVMPU-UHFFFAOYSA-N
MW258.12 g/mol
LogP4.15
Rot. Bonds

About 9-bromoacridine

9-bromoacridine (PubChem CID 15588290) has the molecular formula C13H8BrN and a molecular weight of 258.12 g/mol. Its IUPAC name is 9-bromoacridine.

Molecular Properties

Compound Name9-bromoacridine
PubChem CID15588290
Molecular FormulaC13H8BrN
Molecular Weight258.12 g/mol
Exact Mass256.98
IUPAC Name9-bromoacridine
SMILESBrc1c2ccccc2nc2ccccc12
InChIInChI=1S/C13H8BrN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKeyNNTFCRCMYKVMPU-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromoacridine?
The IUPAC name of 9-bromoacridine (CID 15588290) is 9-bromoacridine.
What is the SMILES notation for 9-bromoacridine?
The canonical SMILES for 9-bromoacridine is Brc1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-bromoacridine?
The InChIKey is NNTFCRCMYKVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 9-bromoacridine?
9-bromoacridine has a molecular weight of 258.12 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromoacridine is sourced from PubChem (CID 15588290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).