3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine

C12H7Cl2F3N2O — CID 178073048

IUPAC3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine
SMILESCOc1c(Cl)ccc(-c2cnc(C(F)F)c(Cl)n2)c1F
InChIInChI=1S/C12H7Cl2F3N2O/c1-20-10-6(13)3-2-5(8(10)15)7-4-18-9(12(16)17)11(14)19-7/h2-4,12H,1H3
InChIKeyMLFDHPIEZOMAMS-UHFFFAOYSA-N
MW323.10 g/mol
LogP4.54
Rot. Bonds3

About 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine

3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine (PubChem CID 178073048) has the molecular formula C12H7Cl2F3N2O and a molecular weight of 323.10 g/mol. Its IUPAC name is 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine.

Molecular Properties

Compound Name3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine
PubChem CID178073048
Molecular FormulaC12H7Cl2F3N2O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine
SMILESCOc1c(Cl)ccc(-c2cnc(C(F)F)c(Cl)n2)c1F
InChIInChI=1S/C12H7Cl2F3N2O/c1-20-10-6(13)3-2-5(8(10)15)7-4-18-9(12(16)17)11(14)19-7/h2-4,12H,1H3
InChIKeyMLFDHPIEZOMAMS-UHFFFAOYSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.10
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine?
The IUPAC name of 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine (CID 178073048) is 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine.
What is the SMILES notation for 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine?
The canonical SMILES for 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine is COc1c(Cl)ccc(-c2cnc(C(F)F)c(Cl)n2)c1F.
What is the InChIKey of 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine?
The InChIKey is MLFDHPIEZOMAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O/c1-20-10-6(13)3-2-5(8(10)15)7-4-18-9(12(16)17)11(14)19-7/h2-4,12H,1H3.
What are the key properties of 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine?
3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine has a molecular weight of 323.10 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine is sourced from PubChem (CID 178073048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).