2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine

C11H8ClFN2O2 — CID 146289892

IUPAC2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine
SMILESCOc1cc(Oc2cncc(Cl)n2)ccc1F
InChIInChI=1S/C11H8ClFN2O2/c1-16-9-4-7(2-3-8(9)13)17-11-6-14-5-10(12)15-11/h2-6H,1H3
InChIKeySLWHAZIJQDYATI-UHFFFAOYSA-N
MW254.65 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine

2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine (PubChem CID 146289892) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine
PubChem CID146289892
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine
SMILESCOc1cc(Oc2cncc(Cl)n2)ccc1F
InChIInChI=1S/C11H8ClFN2O2/c1-16-9-4-7(2-3-8(9)13)17-11-6-14-5-10(12)15-11/h2-6H,1H3
InChIKeySLWHAZIJQDYATI-UHFFFAOYSA-N
XLogP3.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine?
The IUPAC name of 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine (CID 146289892) is 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine.
What is the SMILES notation for 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine?
The canonical SMILES for 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine is COc1cc(Oc2cncc(Cl)n2)ccc1F.
What is the InChIKey of 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine?
The InChIKey is SLWHAZIJQDYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-16-9-4-7(2-3-8(9)13)17-11-6-14-5-10(12)15-11/h2-6H,1H3.
What are the key properties of 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine?
2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine has a molecular weight of 254.65 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine is sourced from PubChem (CID 146289892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).