methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate

C11H12ClF2N3O2 — CID 156565972

IUPACmethyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(F)(F)CC2)c(Cl)n1
InChIInChI=1S/C11H12ClF2N3O2/c1-19-10(18)7-6-15-9(8(12)16-7)17-4-2-11(13,14)3-5-17/h6H,2-5H2,1H3
InChIKeyMXDMYOARAAURES-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.15
Rot. Bonds2

About methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate

methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate (PubChem CID 156565972) has the molecular formula C11H12ClF2N3O2 and a molecular weight of 291.69 g/mol. Its IUPAC name is methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
PubChem CID156565972
Molecular FormulaC11H12ClF2N3O2
Molecular Weight291.69 g/mol
Exact Mass291.06
IUPAC Namemethyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(F)(F)CC2)c(Cl)n1
InChIInChI=1S/C11H12ClF2N3O2/c1-19-10(18)7-6-15-9(8(12)16-7)17-4-2-11(13,14)3-5-17/h6H,2-5H2,1H3
InChIKeyMXDMYOARAAURES-UHFFFAOYSA-N
XLogP2.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate (CID 156565972) is methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCC(F)(F)CC2)c(Cl)n1.
What is the InChIKey of methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is MXDMYOARAAURES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N3O2/c1-19-10(18)7-6-15-9(8(12)16-7)17-4-2-11(13,14)3-5-17/h6H,2-5H2,1H3.
What are the key properties of methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate?
methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 291.69 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 156565972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).