methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate

C11H9FN2O3 — CID 59607978

IUPACmethyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate
SMILESCOC(=O)c1c(OC)c(F)cc2nccnc12
InChIInChI=1S/C11H9FN2O3/c1-16-10-6(12)5-7-9(14-4-3-13-7)8(10)11(15)17-2/h3-5H,1-2H3
InChIKeyGBNJDYIEGJCMLN-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.56
Rot. Bonds2

About methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate

methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate (PubChem CID 59607978) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate
PubChem CID59607978
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Namemethyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate
SMILESCOC(=O)c1c(OC)c(F)cc2nccnc12
InChIInChI=1S/C11H9FN2O3/c1-16-10-6(12)5-7-9(14-4-3-13-7)8(10)11(15)17-2/h3-5H,1-2H3
InChIKeyGBNJDYIEGJCMLN-UHFFFAOYSA-N
XLogP1.56
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
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methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
methyl 4-butoxy-3,5-difluorobenzoate
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CID 177436955

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate?
The IUPAC name of methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate (CID 59607978) is methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate.
What is the SMILES notation for methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate?
The canonical SMILES for methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate is COC(=O)c1c(OC)c(F)cc2nccnc12.
What is the InChIKey of methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate?
The InChIKey is GBNJDYIEGJCMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-16-10-6(12)5-7-9(14-4-3-13-7)8(10)11(15)17-2/h3-5H,1-2H3.
What are the key properties of methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate?
methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate has a molecular weight of 236.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-6-methoxyquinoxaline-5-carboxylate is sourced from PubChem (CID 59607978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).