methyl 3,5-difluoropyrazine-2-carboxylate

C6H4F2N2O2 — CID 141040499

IUPACmethyl 3,5-difluoropyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(F)nc1F
InChIInChI=1S/C6H4F2N2O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3
InChIKeyPMUZJZNYFWONOP-UHFFFAOYSA-N
MW174.11 g/mol
LogP0.54
Rot. Bonds1

About methyl 3,5-difluoropyrazine-2-carboxylate

methyl 3,5-difluoropyrazine-2-carboxylate (PubChem CID 141040499) has the molecular formula C6H4F2N2O2 and a molecular weight of 174.11 g/mol. Its IUPAC name is methyl 3,5-difluoropyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-difluoropyrazine-2-carboxylate
PubChem CID141040499
Molecular FormulaC6H4F2N2O2
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Namemethyl 3,5-difluoropyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(F)nc1F
InChIInChI=1S/C6H4F2N2O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3
InChIKeyPMUZJZNYFWONOP-UHFFFAOYSA-N
XLogP0.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-difluoropyrazine-2-carboxylate?
The IUPAC name of methyl 3,5-difluoropyrazine-2-carboxylate (CID 141040499) is methyl 3,5-difluoropyrazine-2-carboxylate.
What is the SMILES notation for methyl 3,5-difluoropyrazine-2-carboxylate?
The canonical SMILES for methyl 3,5-difluoropyrazine-2-carboxylate is COC(=O)c1ncc(F)nc1F.
What is the InChIKey of methyl 3,5-difluoropyrazine-2-carboxylate?
The InChIKey is PMUZJZNYFWONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3.
What are the key properties of methyl 3,5-difluoropyrazine-2-carboxylate?
methyl 3,5-difluoropyrazine-2-carboxylate has a molecular weight of 174.11 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-difluoropyrazine-2-carboxylate is sourced from PubChem (CID 141040499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).