2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine

C11H8ClFN2 — CID 79691462

IUPAC2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine
SMILESCc1cc(F)cc(-c2nccnc2Cl)c1
InChIInChI=1S/C11H8ClFN2/c1-7-4-8(6-9(13)5-7)10-11(12)15-3-2-14-10/h2-6H,1H3
InChIKeyWSDHYDMBLXNCBM-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.24
Rot. Bonds1

About 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine

2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine (PubChem CID 79691462) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine
PubChem CID79691462
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine
SMILESCc1cc(F)cc(-c2nccnc2Cl)c1
InChIInChI=1S/C11H8ClFN2/c1-7-4-8(6-9(13)5-7)10-11(12)15-3-2-14-10/h2-6H,1H3
InChIKeyWSDHYDMBLXNCBM-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine?
The IUPAC name of 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine (CID 79691462) is 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine.
What is the SMILES notation for 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine?
The canonical SMILES for 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine is Cc1cc(F)cc(-c2nccnc2Cl)c1.
What is the InChIKey of 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine?
The InChIKey is WSDHYDMBLXNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c1-7-4-8(6-9(13)5-7)10-11(12)15-3-2-14-10/h2-6H,1H3.
What are the key properties of 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine?
2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine has a molecular weight of 222.65 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine is sourced from PubChem (CID 79691462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).