methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate

C13H11FN2O3 — CID 146526309

IUPACmethyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Oc2c(C)cccc2F)cn1
InChIInChI=1S/C13H11FN2O3/c1-8-4-3-5-9(14)12(8)19-11-7-15-10(6-16-11)13(17)18-2/h3-7H,1-2H3
InChIKeyHWFCVTVGXPSNTN-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.50
Rot. Bonds3

About methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate

methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate (PubChem CID 146526309) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate
PubChem CID146526309
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Namemethyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Oc2c(C)cccc2F)cn1
InChIInChI=1S/C13H11FN2O3/c1-8-4-3-5-9(14)12(8)19-11-7-15-10(6-16-11)13(17)18-2/h3-7H,1-2H3
InChIKeyHWFCVTVGXPSNTN-UHFFFAOYSA-N
XLogP2.50
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-chlorophenoxy)pyrazine-2-carboxylate
CID 114059645
methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
CID 114059663
methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate
CID 114059713
methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 75440273
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate
CID 166844850
methyl 5-phenylsulfanylpyrazine-2-carboxylate
CID 103772075
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
methyl 5-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]pyrazine-2-carboxylate
CID 67498031
methyl 5-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboxylate
CID 114059688
methyl 5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxylate
CID 90103011
methyl 5-chloropyridine-2-carboxylate
CID 11298216

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate (CID 146526309) is methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate is COC(=O)c1cnc(Oc2c(C)cccc2F)cn1.
What is the InChIKey of methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate?
The InChIKey is HWFCVTVGXPSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-4-3-5-9(14)12(8)19-11-7-15-10(6-16-11)13(17)18-2/h3-7H,1-2H3.
What are the key properties of methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate?
methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate has a molecular weight of 262.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluoro-6-methylphenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 146526309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).