5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid

C12H12F3N3O2 — CID 123545322

IUPAC5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid
SMILESNC1=NC(c2ccccc2F)(C(F)F)CN(C(=O)O)C1
InChIInChI=1S/C12H12F3N3O2/c13-8-4-2-1-3-7(8)12(10(14)15)6-18(11(19)20)5-9(16)17-12/h1-4,10H,5-6H2,(H2,16,17)(H,19,20)
InChIKeyLFLXLNUUPHRUKX-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.64
Rot. Bonds2

About 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid

5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid (PubChem CID 123545322) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid
PubChem CID123545322
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid
SMILESNC1=NC(c2ccccc2F)(C(F)F)CN(C(=O)O)C1
InChIInChI=1S/C12H12F3N3O2/c13-8-4-2-1-3-7(8)12(10(14)15)6-18(11(19)20)5-9(16)17-12/h1-4,10H,5-6H2,(H2,16,17)(H,19,20)
InChIKeyLFLXLNUUPHRUKX-UHFFFAOYSA-N
XLogP1.64
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid?
The IUPAC name of 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid (CID 123545322) is 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid?
The canonical SMILES for 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid is NC1=NC(c2ccccc2F)(C(F)F)CN(C(=O)O)C1.
What is the InChIKey of 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid?
The InChIKey is LFLXLNUUPHRUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-8-4-2-1-3-7(8)12(10(14)15)6-18(11(19)20)5-9(16)17-12/h1-4,10H,5-6H2,(H2,16,17)(H,19,20).
What are the key properties of 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid?
5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid has a molecular weight of 287.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-3-(2-fluorophenyl)-2,6-dihydropyrazine-1-carboxylic acid is sourced from PubChem (CID 123545322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).