2-bromo-8-chloro-6-methoxy-1-methylphenazine

C14H10BrClN2O — CID 172864583

IUPAC2-bromo-8-chloro-6-methoxy-1-methylphenazine
SMILESCOc1cc(Cl)cc2nc3c(C)c(Br)ccc3nc12
InChIInChI=1S/C14H10BrClN2O/c1-7-9(15)3-4-10-13(7)18-11-5-8(16)6-12(19-2)14(11)17-10/h3-6H,1-2H3
InChIKeyZUUAFCHPVNDRJD-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.52
Rot. Bonds1

About 2-bromo-8-chloro-6-methoxy-1-methylphenazine

2-bromo-8-chloro-6-methoxy-1-methylphenazine (PubChem CID 172864583) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is 2-bromo-8-chloro-6-methoxy-1-methylphenazine.

Molecular Properties

Compound Name2-bromo-8-chloro-6-methoxy-1-methylphenazine
PubChem CID172864583
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name2-bromo-8-chloro-6-methoxy-1-methylphenazine
SMILESCOc1cc(Cl)cc2nc3c(C)c(Br)ccc3nc12
InChIInChI=1S/C14H10BrClN2O/c1-7-9(15)3-4-10-13(7)18-11-5-8(16)6-12(19-2)14(11)17-10/h3-6H,1-2H3
InChIKeyZUUAFCHPVNDRJD-UHFFFAOYSA-N
XLogP4.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromo-8-chloro-6-methoxy-1-methylphenazine?
The IUPAC name of 2-bromo-8-chloro-6-methoxy-1-methylphenazine (CID 172864583) is 2-bromo-8-chloro-6-methoxy-1-methylphenazine.
What is the SMILES notation for 2-bromo-8-chloro-6-methoxy-1-methylphenazine?
The canonical SMILES for 2-bromo-8-chloro-6-methoxy-1-methylphenazine is COc1cc(Cl)cc2nc3c(C)c(Br)ccc3nc12.
What is the InChIKey of 2-bromo-8-chloro-6-methoxy-1-methylphenazine?
The InChIKey is ZUUAFCHPVNDRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c1-7-9(15)3-4-10-13(7)18-11-5-8(16)6-12(19-2)14(11)17-10/h3-6H,1-2H3.
What are the key properties of 2-bromo-8-chloro-6-methoxy-1-methylphenazine?
2-bromo-8-chloro-6-methoxy-1-methylphenazine has a molecular weight of 337.60 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-chloro-6-methoxy-1-methylphenazine is sourced from PubChem (CID 172864583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).