2-bromo-5-phenoxypyrazine

C10H7BrN2O — CID 46738199

IUPAC2-bromo-5-phenoxypyrazine
SMILESBrc1cnc(Oc2ccccc2)cn1
InChIInChI=1S/C10H7BrN2O/c11-9-6-13-10(7-12-9)14-8-4-2-1-3-5-8/h1-7H
InChIKeyAPZCCTWVBMVYJN-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.03
Rot. Bonds2

About 2-bromo-5-phenoxypyrazine

2-bromo-5-phenoxypyrazine (PubChem CID 46738199) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-bromo-5-phenoxypyrazine.

Molecular Properties

Compound Name2-bromo-5-phenoxypyrazine
PubChem CID46738199
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name2-bromo-5-phenoxypyrazine
SMILESBrc1cnc(Oc2ccccc2)cn1
InChIInChI=1S/C10H7BrN2O/c11-9-6-13-10(7-12-9)14-8-4-2-1-3-5-8/h1-7H
InChIKeyAPZCCTWVBMVYJN-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-phenoxypyrazine?
The IUPAC name of 2-bromo-5-phenoxypyrazine (CID 46738199) is 2-bromo-5-phenoxypyrazine.
What is the SMILES notation for 2-bromo-5-phenoxypyrazine?
The canonical SMILES for 2-bromo-5-phenoxypyrazine is Brc1cnc(Oc2ccccc2)cn1.
What is the InChIKey of 2-bromo-5-phenoxypyrazine?
The InChIKey is APZCCTWVBMVYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-9-6-13-10(7-12-9)14-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-bromo-5-phenoxypyrazine?
2-bromo-5-phenoxypyrazine has a molecular weight of 251.08 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenoxypyrazine is sourced from PubChem (CID 46738199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).