4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile

C11H7FN4O — CID 80647371

IUPAC4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2cncc(N)n2)cc1F
InChIInChI=1S/C11H7FN4O/c12-9-3-8(2-1-7(9)4-13)17-11-6-15-5-10(14)16-11/h1-3,5-6H,(H2,14,16)
InChIKeyKHJOHXRENDRJLY-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.86
Rot. Bonds2

About 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile

4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile (PubChem CID 80647371) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile
PubChem CID80647371
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2cncc(N)n2)cc1F
InChIInChI=1S/C11H7FN4O/c12-9-3-8(2-1-7(9)4-13)17-11-6-15-5-10(14)16-11/h1-3,5-6H,(H2,14,16)
InChIKeyKHJOHXRENDRJLY-UHFFFAOYSA-N
XLogP1.86
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile?
The IUPAC name of 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile (CID 80647371) is 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile.
What is the SMILES notation for 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile?
The canonical SMILES for 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile is N#Cc1ccc(Oc2cncc(N)n2)cc1F.
What is the InChIKey of 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile?
The InChIKey is KHJOHXRENDRJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-9-3-8(2-1-7(9)4-13)17-11-6-15-5-10(14)16-11/h1-3,5-6H,(H2,14,16).
What are the key properties of 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile?
4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile has a molecular weight of 230.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopyrazin-2-yl)oxy-2-fluorobenzonitrile is sourced from PubChem (CID 80647371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).