3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid

C7H7F2N3O2 — CID 115408711

IUPAC3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC(F)F
InChIInChI=1S/C7H7F2N3O2/c8-4(9)3-12-6-5(7(13)14)10-1-2-11-6/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKeyNLYLITRNHVUIFJ-UHFFFAOYSA-N
MW203.15 g/mol
LogP0.85
Rot. Bonds4

About 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid

3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid (PubChem CID 115408711) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid
PubChem CID115408711
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC(F)F
InChIInChI=1S/C7H7F2N3O2/c8-4(9)3-12-6-5(7(13)14)10-1-2-11-6/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKeyNLYLITRNHVUIFJ-UHFFFAOYSA-N
XLogP0.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid (CID 115408711) is 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid?
The InChIKey is NLYLITRNHVUIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c8-4(9)3-12-6-5(7(13)14)10-1-2-11-6/h1-2,4H,3H2,(H,11,12)(H,13,14).
What are the key properties of 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid?
3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid has a molecular weight of 203.15 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 115408711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).