2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine

C12H9ClF2N2O — CID 18186877

IUPAC2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine
SMILESCC(Oc1cncc(Cl)n1)c1c(F)cccc1F
InChIInChI=1S/C12H9ClF2N2O/c1-7(12-8(14)3-2-4-9(12)15)18-11-6-16-5-10(13)17-11/h2-7H,1H3
InChIKeyAVOIILYBKLFVBG-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine

2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine (PubChem CID 18186877) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine
PubChem CID18186877
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine
SMILESCC(Oc1cncc(Cl)n1)c1c(F)cccc1F
InChIInChI=1S/C12H9ClF2N2O/c1-7(12-8(14)3-2-4-9(12)15)18-11-6-16-5-10(13)17-11/h2-7H,1H3
InChIKeyAVOIILYBKLFVBG-UHFFFAOYSA-N
XLogP3.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine?
The IUPAC name of 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine (CID 18186877) is 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine is CC(Oc1cncc(Cl)n1)c1c(F)cccc1F.
What is the InChIKey of 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine?
The InChIKey is AVOIILYBKLFVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c1-7(12-8(14)3-2-4-9(12)15)18-11-6-16-5-10(13)17-11/h2-7H,1H3.
What are the key properties of 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine?
2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine has a molecular weight of 270.67 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(2,6-difluorophenyl)ethoxy]pyrazine is sourced from PubChem (CID 18186877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).