5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide

C11H7ClFN3O — CID 71655575

IUPAC5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(Cl)cn1
InChIInChI=1S/C11H7ClFN3O/c12-10-6-14-9(5-15-10)11(17)16-8-4-2-1-3-7(8)13/h1-6H,(H,16,17)
InChIKeyDYYCCONTKAJHRW-UHFFFAOYSA-N
MW251.65 g/mol
LogP2.52
Rot. Bonds2

About 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide

5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 71655575) has the molecular formula C11H7ClFN3O and a molecular weight of 251.65 g/mol. Its IUPAC name is 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide
PubChem CID71655575
Molecular FormulaC11H7ClFN3O
Molecular Weight251.65 g/mol
Exact Mass251.03
IUPAC Name5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(Cl)cn1
InChIInChI=1S/C11H7ClFN3O/c12-10-6-14-9(5-15-10)11(17)16-8-4-2-1-3-7(8)13/h1-6H,(H,16,17)
InChIKeyDYYCCONTKAJHRW-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide (CID 71655575) is 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccccc1F)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is DYYCCONTKAJHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O/c12-10-6-14-9(5-15-10)11(17)16-8-4-2-1-3-7(8)13/h1-6H,(H,16,17).
What are the key properties of 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide?
5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 251.65 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 71655575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).