2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine

C12H10ClFN2O — CID 11391120

IUPAC2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine
SMILESCC(Oc1cncc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H10ClFN2O/c1-8(9-3-2-4-10(14)5-9)17-12-7-15-6-11(13)16-12/h2-8H,1H3
InChIKeyAEKVMDSKMIBDKH-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine

2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine (PubChem CID 11391120) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine
PubChem CID11391120
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine
SMILESCC(Oc1cncc(Cl)n1)c1cccc(F)c1
InChIInChI=1S/C12H10ClFN2O/c1-8(9-3-2-4-10(14)5-9)17-12-7-15-6-11(13)16-12/h2-8H,1H3
InChIKeyAEKVMDSKMIBDKH-UHFFFAOYSA-N
XLogP3.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.41
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-(3-fluorophenyl)ethoxy]pyrazine?
The IUPAC name of 2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine (CID 11391120) is 2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine is CC(Oc1cncc(Cl)n1)c1cccc(F)c1.
What is the InChIKey of 2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine?
The InChIKey is AEKVMDSKMIBDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-8(9-3-2-4-10(14)5-9)17-12-7-15-6-11(13)16-12/h2-8H,1H3.
What are the key properties of 2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine?
2-chloro-6-[1-(3-fluorophenyl)ethoxy]pyrazine has a molecular weight of 252.68 g/mol, XLogP of 3.41, 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-(3-fluorophenyl)ethoxy]pyrazine is sourced from PubChem (CID 11391120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).