6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide

C11H6F3N3O — CID 174575525

IUPAC6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(-c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C11H6F3N3O/c12-6-2-1-5(9(13)10(6)14)7-3-16-4-8(17-7)11(15)18/h1-4H,(H2,15,18)
InChIKeyGOXXADBLFOYGKP-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.66
Rot. Bonds2

About 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide

6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (PubChem CID 174575525) has the molecular formula C11H6F3N3O and a molecular weight of 253.18 g/mol. Its IUPAC name is 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
PubChem CID174575525
Molecular FormulaC11H6F3N3O
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(-c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C11H6F3N3O/c12-6-2-1-5(9(13)10(6)14)7-3-16-4-8(17-7)11(15)18/h1-4H,(H2,15,18)
InChIKeyGOXXADBLFOYGKP-UHFFFAOYSA-N
XLogP1.66
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (CID 174575525) is 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is NC(=O)c1cncc(-c2ccc(F)c(F)c2F)n1.
What is the InChIKey of 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The InChIKey is GOXXADBLFOYGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O/c12-6-2-1-5(9(13)10(6)14)7-3-16-4-8(17-7)11(15)18/h1-4H,(H2,15,18).
What are the key properties of 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide has a molecular weight of 253.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 174575525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).