6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

C8H7ClF3N3O — CID 103187083

IUPAC6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C8H7ClF3N3O/c1-15(4-8(10,11)12)7(16)5-2-13-3-6(9)14-5/h2-3H,4H2,1H3
InChIKeyZPMJSJFPNYTAFY-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.76
Rot. Bonds2

About 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (PubChem CID 103187083) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
PubChem CID103187083
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C8H7ClF3N3O/c1-15(4-8(10,11)12)7(16)5-2-13-3-6(9)14-5/h2-3H,4H2,1H3
InChIKeyZPMJSJFPNYTAFY-UHFFFAOYSA-N
XLogP1.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (CID 103187083) is 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is CN(CC(F)(F)F)C(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The InChIKey is ZPMJSJFPNYTAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c1-15(4-8(10,11)12)7(16)5-2-13-3-6(9)14-5/h2-3H,4H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide has a molecular weight of 253.61 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103187083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).