6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid

C16H14ClF2N3O2 — CID 67504963

IUPAC6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(F)(F)CC2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H14ClF2N3O2/c17-11-3-1-10(2-4-11)13-14(20-9-12(21-13)15(23)24)22-7-5-16(18,19)6-8-22/h1-4,9H,5-8H2,(H,23,24)
InChIKeyFUOXEARTAYBPLH-UHFFFAOYSA-N
MW353.76 g/mol
LogP3.73
Rot. Bonds3

About 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid

6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 67504963) has the molecular formula C16H14ClF2N3O2 and a molecular weight of 353.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID67504963
Molecular FormulaC16H14ClF2N3O2
Molecular Weight353.76 g/mol
Exact Mass353.07
IUPAC Name6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(F)(F)CC2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H14ClF2N3O2/c17-11-3-1-10(2-4-11)13-14(20-9-12(21-13)15(23)24)22-7-5-16(18,19)6-8-22/h1-4,9H,5-8H2,(H,23,24)
InChIKeyFUOXEARTAYBPLH-UHFFFAOYSA-N
XLogP3.73
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid (CID 67504963) is 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(F)(F)CC2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is FUOXEARTAYBPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3O2/c17-11-3-1-10(2-4-11)13-14(20-9-12(21-13)15(23)24)22-7-5-16(18,19)6-8-22/h1-4,9H,5-8H2,(H,23,24).
What are the key properties of 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid?
6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 353.76 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 67504963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).