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

C12H8FN3O2 — CID 22662791

IUPAC6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
SMILESCOc1ccc(Oc2ncc(F)nc2C#N)cc1
InChIInChI=1S/C12H8FN3O2/c1-17-8-2-4-9(5-3-8)18-12-10(6-14)16-11(13)7-15-12/h2-5,7H,1H3
InChIKeyADBMIVXPUHEKEC-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.29
Rot. Bonds3

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

6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile (PubChem CID 22662791) has the molecular formula C12H8FN3O2 and a molecular weight of 245.21 g/mol. Its IUPAC name is 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
PubChem CID22662791
Molecular FormulaC12H8FN3O2
Molecular Weight245.21 g/mol
Exact Mass245.06
IUPAC Name6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
SMILESCOc1ccc(Oc2ncc(F)nc2C#N)cc1
InChIInChI=1S/C12H8FN3O2/c1-17-8-2-4-9(5-3-8)18-12-10(6-14)16-11(13)7-15-12/h2-5,7H,1H3
InChIKeyADBMIVXPUHEKEC-UHFFFAOYSA-N
XLogP2.29
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile (CID 22662791) is 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile is COc1ccc(Oc2ncc(F)nc2C#N)cc1.
What is the InChIKey of 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile?
The InChIKey is ADBMIVXPUHEKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2/c1-17-8-2-4-9(5-3-8)18-12-10(6-14)16-11(13)7-15-12/h2-5,7H,1H3.
What are the key properties of 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile?
6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile has a molecular weight of 245.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methoxyphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 22662791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).