6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline

C11H7ClF3N3O4 — CID 22097044

IUPAC6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline
SMILESCOc1nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2nc1OC
InChIInChI=1S/C11H7ClF3N3O4/c1-21-9-10(22-2)17-7-5(16-9)3-4(11(13,14)15)6(12)8(7)18(19)20/h3H,1-2H3
InChIKeyVSBNBOOTPYYQEI-UHFFFAOYSA-N
MW337.64 g/mol
LogP3.23
Rot. Bonds3

About 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline

6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline (PubChem CID 22097044) has the molecular formula C11H7ClF3N3O4 and a molecular weight of 337.64 g/mol. Its IUPAC name is 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline
PubChem CID22097044
Molecular FormulaC11H7ClF3N3O4
Molecular Weight337.64 g/mol
Exact Mass337.01
IUPAC Name6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline
SMILESCOc1nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2nc1OC
InChIInChI=1S/C11H7ClF3N3O4/c1-21-9-10(22-2)17-7-5(16-9)3-4(11(13,14)15)6(12)8(7)18(19)20/h3H,1-2H3
InChIKeyVSBNBOOTPYYQEI-UHFFFAOYSA-N
XLogP3.23
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.64
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline?
The IUPAC name of 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline (CID 22097044) is 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline?
The canonical SMILES for 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline is COc1nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2nc1OC.
What is the InChIKey of 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline?
The InChIKey is VSBNBOOTPYYQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O4/c1-21-9-10(22-2)17-7-5(16-9)3-4(11(13,14)15)6(12)8(7)18(19)20/h3H,1-2H3.
What are the key properties of 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline?
6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline has a molecular weight of 337.64 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethoxy-5-nitro-7-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 22097044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).