5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine

C13H10ClF3N2O — CID 178073076

IUPAC5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine
SMILESCc1nc(-c2ccc(F)cc2Cl)cnc1OCC(F)F
InChIInChI=1S/C13H10ClF3N2O/c1-7-13(20-6-12(16)17)18-5-11(19-7)9-3-2-8(15)4-10(9)14/h2-5,12H,6H2,1H3
InChIKeyQFOBQOFPBQSPLW-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.89
Rot. Bonds4

About 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine

5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine (PubChem CID 178073076) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine
PubChem CID178073076
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine
SMILESCc1nc(-c2ccc(F)cc2Cl)cnc1OCC(F)F
InChIInChI=1S/C13H10ClF3N2O/c1-7-13(20-6-12(16)17)18-5-11(19-7)9-3-2-8(15)4-10(9)14/h2-5,12H,6H2,1H3
InChIKeyQFOBQOFPBQSPLW-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine (CID 178073076) is 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine is Cc1nc(-c2ccc(F)cc2Cl)cnc1OCC(F)F.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine?
The InChIKey is QFOBQOFPBQSPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-7-13(20-6-12(16)17)18-5-11(19-7)9-3-2-8(15)4-10(9)14/h2-5,12H,6H2,1H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine?
5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine has a molecular weight of 302.68 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-2-(2,2-difluoroethoxy)-3-methylpyrazine is sourced from PubChem (CID 178073076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).