3-(2,4-difluorophenyl)pyrazine-2-carboxamide

C11H7F2N3O — CID 69179309

IUPAC3-(2,4-difluorophenyl)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H7F2N3O/c12-6-1-2-7(8(13)5-6)9-10(11(14)17)16-4-3-15-9/h1-5H,(H2,14,17)
InChIKeyAUVBSZFWGNTBTE-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.52
Rot. Bonds2

About 3-(2,4-difluorophenyl)pyrazine-2-carboxamide

3-(2,4-difluorophenyl)pyrazine-2-carboxamide (PubChem CID 69179309) has the molecular formula C11H7F2N3O and a molecular weight of 235.19 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)pyrazine-2-carboxamide
PubChem CID69179309
Molecular FormulaC11H7F2N3O
Molecular Weight235.19 g/mol
Exact Mass235.06
IUPAC Name3-(2,4-difluorophenyl)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H7F2N3O/c12-6-1-2-7(8(13)5-6)9-10(11(14)17)16-4-3-15-9/h1-5H,(H2,14,17)
InChIKeyAUVBSZFWGNTBTE-UHFFFAOYSA-N
XLogP1.52
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)pyrazine-2-carboxamide (CID 69179309) is 3-(2,4-difluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)pyrazine-2-carboxamide is NC(=O)c1nccnc1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)pyrazine-2-carboxamide?
The InChIKey is AUVBSZFWGNTBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O/c12-6-1-2-7(8(13)5-6)9-10(11(14)17)16-4-3-15-9/h1-5H,(H2,14,17).
What are the key properties of 3-(2,4-difluorophenyl)pyrazine-2-carboxamide?
3-(2,4-difluorophenyl)pyrazine-2-carboxamide has a molecular weight of 235.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 69179309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).