2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone

C12H8ClFN2O — CID 18987668

IUPAC2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cc1cncc(Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C12H8ClFN2O/c13-12-7-15-6-10(16-12)5-11(17)8-1-3-9(14)4-2-8/h1-4,6-7H,5H2
InChIKeyDXUXFZGXNGNYFD-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.69
Rot. Bonds3

About 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone

2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 18987668) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone
PubChem CID18987668
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cc1cncc(Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C12H8ClFN2O/c13-12-7-15-6-10(16-12)5-11(17)8-1-3-9(14)4-2-8/h1-4,6-7H,5H2
InChIKeyDXUXFZGXNGNYFD-UHFFFAOYSA-N
XLogP2.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone (CID 18987668) is 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone is O=C(Cc1cncc(Cl)n1)c1ccc(F)cc1.
What is the InChIKey of 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is DXUXFZGXNGNYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-12-7-15-6-10(16-12)5-11(17)8-1-3-9(14)4-2-8/h1-4,6-7H,5H2.
What are the key properties of 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone?
2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 250.66 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 18987668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).