[6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol

C11H8BrFN2O2 — CID 81325456

IUPAC[6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol
SMILESOCc1cncc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C11H8BrFN2O2/c12-7-1-8(13)3-10(2-7)17-11-5-14-4-9(6-16)15-11/h1-5,16H,6H2
InChIKeyHBBVXYGIVQJMCU-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.66
Rot. Bonds3

About [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol

[6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol (PubChem CID 81325456) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol
PubChem CID81325456
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name[6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol
SMILESOCc1cncc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C11H8BrFN2O2/c12-7-1-8(13)3-10(2-7)17-11-5-14-4-9(6-16)15-11/h1-5,16H,6H2
InChIKeyHBBVXYGIVQJMCU-UHFFFAOYSA-N
XLogP2.66
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol (CID 81325456) is [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol is OCc1cncc(Oc2cc(F)cc(Br)c2)n1.
What is the InChIKey of [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol?
The InChIKey is HBBVXYGIVQJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c12-7-1-8(13)3-10(2-7)17-11-5-14-4-9(6-16)15-11/h1-5,16H,6H2.
What are the key properties of [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol?
[6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol has a molecular weight of 299.10 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromo-5-fluorophenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 81325456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).