2-chloro-5-(difluoromethoxy)pyrazine

C5H3ClF2N2O — CID 119012830

IUPAC2-chloro-5-(difluoromethoxy)pyrazine
SMILESFC(F)Oc1cnc(Cl)cn1
InChIInChI=1S/C5H3ClF2N2O/c6-3-1-10-4(2-9-3)11-5(7)8/h1-2,5H
InChIKeyPCPLFPAASKFVDL-UHFFFAOYSA-N
MW180.54 g/mol
LogP1.73
Rot. Bonds2

About 2-chloro-5-(difluoromethoxy)pyrazine

2-chloro-5-(difluoromethoxy)pyrazine (PubChem CID 119012830) has the molecular formula C5H3ClF2N2O and a molecular weight of 180.54 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethoxy)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethoxy)pyrazine
PubChem CID119012830
Molecular FormulaC5H3ClF2N2O
Molecular Weight180.54 g/mol
Exact Mass179.99
IUPAC Name2-chloro-5-(difluoromethoxy)pyrazine
SMILESFC(F)Oc1cnc(Cl)cn1
InChIInChI=1S/C5H3ClF2N2O/c6-3-1-10-4(2-9-3)11-5(7)8/h1-2,5H
InChIKeyPCPLFPAASKFVDL-UHFFFAOYSA-N
XLogP1.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.54
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethoxy)pyrazine?
The IUPAC name of 2-chloro-5-(difluoromethoxy)pyrazine (CID 119012830) is 2-chloro-5-(difluoromethoxy)pyrazine.
What is the SMILES notation for 2-chloro-5-(difluoromethoxy)pyrazine?
The canonical SMILES for 2-chloro-5-(difluoromethoxy)pyrazine is FC(F)Oc1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(difluoromethoxy)pyrazine?
The InChIKey is PCPLFPAASKFVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O/c6-3-1-10-4(2-9-3)11-5(7)8/h1-2,5H.
What are the key properties of 2-chloro-5-(difluoromethoxy)pyrazine?
2-chloro-5-(difluoromethoxy)pyrazine has a molecular weight of 180.54 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethoxy)pyrazine is sourced from PubChem (CID 119012830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).