potassium;3-bromoacridine;hydride

C13H9BrKN — CID 173393779

IUPACpotassium;3-bromoacridine;hydride
SMILESBrc1ccc2cc3ccccc3nc2c1.[H-].[K+]
InChIInChI=1S/C13H8BrN.K.H/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;;/h1-8H;;/q;+1;-1
InChIKeyNPUYHBDKWMRFHB-UHFFFAOYSA-N
MW298.22 g/mol
LogP1.27
Rot. Bonds

About potassium;3-bromoacridine;hydride

potassium;3-bromoacridine;hydride (PubChem CID 173393779) has the molecular formula C13H9BrKN and a molecular weight of 298.22 g/mol. Its IUPAC name is potassium;3-bromoacridine;hydride.

Molecular Properties

Compound Namepotassium;3-bromoacridine;hydride
PubChem CID173393779
Molecular FormulaC13H9BrKN
Molecular Weight298.22 g/mol
Exact Mass296.96
IUPAC Namepotassium;3-bromoacridine;hydride
SMILESBrc1ccc2cc3ccccc3nc2c1.[H-].[K+]
InChIInChI=1S/C13H8BrN.K.H/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;;/h1-8H;;/q;+1;-1
InChIKeyNPUYHBDKWMRFHB-UHFFFAOYSA-N
XLogP1.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 51.27
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 potassium;3-bromoacridine;hydride?
The IUPAC name of potassium;3-bromoacridine;hydride (CID 173393779) is potassium;3-bromoacridine;hydride.
What is the SMILES notation for potassium;3-bromoacridine;hydride?
The canonical SMILES for potassium;3-bromoacridine;hydride is Brc1ccc2cc3ccccc3nc2c1.[H-].[K+].
What is the InChIKey of potassium;3-bromoacridine;hydride?
The InChIKey is NPUYHBDKWMRFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN.K.H/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11;;/h1-8H;;/q;+1;-1.
What are the key properties of potassium;3-bromoacridine;hydride?
potassium;3-bromoacridine;hydride has a molecular weight of 298.22 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-bromoacridine;hydride is sourced from PubChem (CID 173393779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).