3-chloro-8-fluoro-1-methoxyphenazine

C13H8ClFN2O — CID 172853505

IUPAC3-chloro-8-fluoro-1-methoxyphenazine
SMILESCOc1cc(Cl)cc2nc3ccc(F)cc3nc12
InChIInChI=1S/C13H8ClFN2O/c1-18-12-5-7(14)4-11-13(12)17-10-6-8(15)2-3-9(10)16-11/h2-6H,1H3
InChIKeyYJRYWEZYIRAFTI-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.58
Rot. Bonds1

About 3-chloro-8-fluoro-1-methoxyphenazine

3-chloro-8-fluoro-1-methoxyphenazine (PubChem CID 172853505) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 3-chloro-8-fluoro-1-methoxyphenazine.

Molecular Properties

Compound Name3-chloro-8-fluoro-1-methoxyphenazine
PubChem CID172853505
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name3-chloro-8-fluoro-1-methoxyphenazine
SMILESCOc1cc(Cl)cc2nc3ccc(F)cc3nc12
InChIInChI=1S/C13H8ClFN2O/c1-18-12-5-7(14)4-11-13(12)17-10-6-8(15)2-3-9(10)16-11/h2-6H,1H3
InChIKeyYJRYWEZYIRAFTI-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.58
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 3-chloro-8-fluoro-1-methoxyphenazine?
The IUPAC name of 3-chloro-8-fluoro-1-methoxyphenazine (CID 172853505) is 3-chloro-8-fluoro-1-methoxyphenazine.
What is the SMILES notation for 3-chloro-8-fluoro-1-methoxyphenazine?
The canonical SMILES for 3-chloro-8-fluoro-1-methoxyphenazine is COc1cc(Cl)cc2nc3ccc(F)cc3nc12.
What is the InChIKey of 3-chloro-8-fluoro-1-methoxyphenazine?
The InChIKey is YJRYWEZYIRAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c1-18-12-5-7(14)4-11-13(12)17-10-6-8(15)2-3-9(10)16-11/h2-6H,1H3.
What are the key properties of 3-chloro-8-fluoro-1-methoxyphenazine?
3-chloro-8-fluoro-1-methoxyphenazine has a molecular weight of 262.67 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-fluoro-1-methoxyphenazine is sourced from PubChem (CID 172853505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).