3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid

C12H7F6N5O3 — CID 157376149

IUPAC3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNC(=O)c1nccnc1C(F)(F)F.O=C(O)c1nccnc1C(F)(F)F
InChIInChI=1S/C6H4F3N3O.C6H3F3N2O2/c7-6(8,9)4-3(5(10)13)11-1-2-12-4;7-6(8,9)4-3(5(12)13)10-1-2-11-4/h1-2H,(H2,10,13);1-2H,(H,12,13)
InChIKeyBKISPNLKWZKCQC-UHFFFAOYSA-N
MW383.21 g/mol
LogP1.79
Rot. Bonds2

About 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid

3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid (PubChem CID 157376149) has the molecular formula C12H7F6N5O3 and a molecular weight of 383.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid
PubChem CID157376149
Molecular FormulaC12H7F6N5O3
Molecular Weight383.21 g/mol
Exact Mass383.05
IUPAC Name3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid
SMILESNC(=O)c1nccnc1C(F)(F)F.O=C(O)c1nccnc1C(F)(F)F
InChIInChI=1S/C6H4F3N3O.C6H3F3N2O2/c7-6(8,9)4-3(5(10)13)11-1-2-12-4;7-6(8,9)4-3(5(12)13)10-1-2-11-4/h1-2H,(H2,10,13);1-2H,(H,12,13)
InChIKeyBKISPNLKWZKCQC-UHFFFAOYSA-N
XLogP1.79
TPSA131.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid (CID 157376149) is 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid is NC(=O)c1nccnc1C(F)(F)F.O=C(O)c1nccnc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid?
The InChIKey is BKISPNLKWZKCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O.C6H3F3N2O2/c7-6(8,9)4-3(5(10)13)11-1-2-12-4;7-6(8,9)4-3(5(12)13)10-1-2-11-4/h1-2H,(H2,10,13);1-2H,(H,12,13).
What are the key properties of 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid?
3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid has a molecular weight of 383.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrazine-2-carboxamide;3-(trifluoromethyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 157376149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).