methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate

C11H13F2N3O2 — CID 67151827

IUPACmethyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C11H13F2N3O2/c1-18-10(17)8-6-15-9(7-14-8)16-4-2-11(12,13)3-5-16/h6-7H,2-5H2,1H3
InChIKeyPNQWWNYSHRMIRX-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.50
Rot. Bonds2

About methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate

methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 67151827) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID67151827
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Namemethyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C11H13F2N3O2/c1-18-10(17)8-6-15-9(7-14-8)16-4-2-11(12,13)3-5-16/h6-7H,2-5H2,1H3
InChIKeyPNQWWNYSHRMIRX-UHFFFAOYSA-N
XLogP1.50
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate (CID 67151827) is methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCC(F)(F)CC2)cn1.
What is the InChIKey of methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is PNQWWNYSHRMIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-18-10(17)8-6-15-9(7-14-8)16-4-2-11(12,13)3-5-16/h6-7H,2-5H2,1H3.
What are the key properties of methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 257.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 67151827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).