5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid

C10H11F2N3O2 — CID 67151708

IUPAC5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C10H11F2N3O2/c11-10(12)1-3-15(4-2-10)8-6-13-7(5-14-8)9(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyOGWDVFSSNLAXLX-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.41
Rot. Bonds2

About 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid

5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 67151708) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID67151708
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C10H11F2N3O2/c11-10(12)1-3-15(4-2-10)8-6-13-7(5-14-8)9(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyOGWDVFSSNLAXLX-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid (CID 67151708) is 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(F)(F)CC2)cn1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is OGWDVFSSNLAXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c11-10(12)1-3-15(4-2-10)8-6-13-7(5-14-8)9(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid?
5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 243.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 67151708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).