2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine

C12H6ClF3N2 — CID 178073470

IUPAC2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine
SMILESFC(F)=Cc1cnc(-c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C12H6ClF3N2/c13-10-3-7(14)1-2-9(10)11-6-17-8(5-18-11)4-12(15)16/h1-6H
InChIKeySFTSVHVHVSRYAR-UHFFFAOYSA-N
MW270.64 g/mol
LogP4.17
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine

2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine (PubChem CID 178073470) has the molecular formula C12H6ClF3N2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine
PubChem CID178073470
Molecular FormulaC12H6ClF3N2
Molecular Weight270.64 g/mol
Exact Mass270.02
IUPAC Name2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine
SMILESFC(F)=Cc1cnc(-c2ccc(F)cc2Cl)cn1
InChIInChI=1S/C12H6ClF3N2/c13-10-3-7(14)1-2-9(10)11-6-17-8(5-18-11)4-12(15)16/h1-6H
InChIKeySFTSVHVHVSRYAR-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine (CID 178073470) is 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine is FC(F)=Cc1cnc(-c2ccc(F)cc2Cl)cn1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine?
The InChIKey is SFTSVHVHVSRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2/c13-10-3-7(14)1-2-9(10)11-6-17-8(5-18-11)4-12(15)16/h1-6H.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine?
2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine has a molecular weight of 270.64 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine is sourced from PubChem (CID 178073470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).