methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate

C12H8F2N2O3 — CID 21218508

IUPACmethyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C12H8F2N2O3/c1-18-12(17)10-11(16-5-4-15-10)19-9-3-2-7(13)6-8(9)14/h2-6H,1H3
InChIKeyWKSXQHBNSBMFJR-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.33
Rot. Bonds3

About methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate

methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate (PubChem CID 21218508) has the molecular formula C12H8F2N2O3 and a molecular weight of 266.20 g/mol. Its IUPAC name is methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate
PubChem CID21218508
Molecular FormulaC12H8F2N2O3
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Namemethyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C12H8F2N2O3/c1-18-12(17)10-11(16-5-4-15-10)19-9-3-2-7(13)6-8(9)14/h2-6H,1H3
InChIKeyWKSXQHBNSBMFJR-UHFFFAOYSA-N
XLogP2.33
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate (CID 21218508) is methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate is COC(=O)c1nccnc1Oc1ccc(F)cc1F.
What is the InChIKey of methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate?
The InChIKey is WKSXQHBNSBMFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3/c1-18-12(17)10-11(16-5-4-15-10)19-9-3-2-7(13)6-8(9)14/h2-6H,1H3.
What are the key properties of methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate?
methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate has a molecular weight of 266.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-difluorophenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 21218508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).