8-bromo-7,10-dimethoxyphenanthridine

C15H12BrNO2 — CID 135038459

IUPAC8-bromo-7,10-dimethoxyphenanthridine
SMILESCOc1c(Br)cc(OC)c2c1cnc1ccccc12
InChIInChI=1S/C15H12BrNO2/c1-18-13-7-11(16)15(19-2)10-8-17-12-6-4-3-5-9(12)14(10)13/h3-8H,1-2H3
InChIKeyHCRURKGLSSVYLA-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.17
Rot. Bonds2

About 8-bromo-7,10-dimethoxyphenanthridine

8-bromo-7,10-dimethoxyphenanthridine (PubChem CID 135038459) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 8-bromo-7,10-dimethoxyphenanthridine.

Molecular Properties

Compound Name8-bromo-7,10-dimethoxyphenanthridine
PubChem CID135038459
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name8-bromo-7,10-dimethoxyphenanthridine
SMILESCOc1c(Br)cc(OC)c2c1cnc1ccccc12
InChIInChI=1S/C15H12BrNO2/c1-18-13-7-11(16)15(19-2)10-8-17-12-6-4-3-5-9(12)14(10)13/h3-8H,1-2H3
InChIKeyHCRURKGLSSVYLA-UHFFFAOYSA-N
XLogP4.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7,10-dimethoxyphenanthridine?
The IUPAC name of 8-bromo-7,10-dimethoxyphenanthridine (CID 135038459) is 8-bromo-7,10-dimethoxyphenanthridine.
What is the SMILES notation for 8-bromo-7,10-dimethoxyphenanthridine?
The canonical SMILES for 8-bromo-7,10-dimethoxyphenanthridine is COc1c(Br)cc(OC)c2c1cnc1ccccc12.
What is the InChIKey of 8-bromo-7,10-dimethoxyphenanthridine?
The InChIKey is HCRURKGLSSVYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-18-13-7-11(16)15(19-2)10-8-17-12-6-4-3-5-9(12)14(10)13/h3-8H,1-2H3.
What are the key properties of 8-bromo-7,10-dimethoxyphenanthridine?
8-bromo-7,10-dimethoxyphenanthridine has a molecular weight of 318.17 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7,10-dimethoxyphenanthridine is sourced from PubChem (CID 135038459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).