2,4-dibromo-9-methylacridine

C14H9Br2N — CID 46187619

IUPAC2,4-dibromo-9-methylacridine
SMILESCc1c2ccccc2nc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H9Br2N/c1-8-10-4-2-3-5-13(10)17-14-11(8)6-9(15)7-12(14)16/h2-7H,1H3
InChIKeyFDGOLBPOAHISOM-UHFFFAOYSA-N
MW351.04 g/mol
LogP5.22
Rot. Bonds

About 2,4-dibromo-9-methylacridine

2,4-dibromo-9-methylacridine (PubChem CID 46187619) has the molecular formula C14H9Br2N and a molecular weight of 351.04 g/mol. Its IUPAC name is 2,4-dibromo-9-methylacridine.

Molecular Properties

Compound Name2,4-dibromo-9-methylacridine
PubChem CID46187619
Molecular FormulaC14H9Br2N
Molecular Weight351.04 g/mol
Exact Mass348.91
IUPAC Name2,4-dibromo-9-methylacridine
SMILESCc1c2ccccc2nc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H9Br2N/c1-8-10-4-2-3-5-13(10)17-14-11(8)6-9(15)7-12(14)16/h2-7H,1H3
InChIKeyFDGOLBPOAHISOM-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.04
LogP ≤ 55.22
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 2,4-dibromo-9-methylacridine?
The IUPAC name of 2,4-dibromo-9-methylacridine (CID 46187619) is 2,4-dibromo-9-methylacridine.
What is the SMILES notation for 2,4-dibromo-9-methylacridine?
The canonical SMILES for 2,4-dibromo-9-methylacridine is Cc1c2ccccc2nc2c(Br)cc(Br)cc12.
What is the InChIKey of 2,4-dibromo-9-methylacridine?
The InChIKey is FDGOLBPOAHISOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N/c1-8-10-4-2-3-5-13(10)17-14-11(8)6-9(15)7-12(14)16/h2-7H,1H3.
What are the key properties of 2,4-dibromo-9-methylacridine?
2,4-dibromo-9-methylacridine has a molecular weight of 351.04 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-9-methylacridine is sourced from PubChem (CID 46187619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).