2-(2-bromophenoxy)pyrazine

C10H7BrN2O — CID 14689440

IUPAC2-(2-bromophenoxy)pyrazine
SMILESBrc1ccccc1Oc1cnccn1
InChIInChI=1S/C10H7BrN2O/c11-8-3-1-2-4-9(8)14-10-7-12-5-6-13-10/h1-7H
InChIKeyMRRATNUBKVEWIM-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.03
Rot. Bonds2

About 2-(2-bromophenoxy)pyrazine

2-(2-bromophenoxy)pyrazine (PubChem CID 14689440) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-(2-bromophenoxy)pyrazine.

Molecular Properties

Compound Name2-(2-bromophenoxy)pyrazine
PubChem CID14689440
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name2-(2-bromophenoxy)pyrazine
SMILESBrc1ccccc1Oc1cnccn1
InChIInChI=1S/C10H7BrN2O/c11-8-3-1-2-4-9(8)14-10-7-12-5-6-13-10/h1-7H
InChIKeyMRRATNUBKVEWIM-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-(2-bromophenoxy)pyrazine?
The IUPAC name of 2-(2-bromophenoxy)pyrazine (CID 14689440) is 2-(2-bromophenoxy)pyrazine.
What is the SMILES notation for 2-(2-bromophenoxy)pyrazine?
The canonical SMILES for 2-(2-bromophenoxy)pyrazine is Brc1ccccc1Oc1cnccn1.
What is the InChIKey of 2-(2-bromophenoxy)pyrazine?
The InChIKey is MRRATNUBKVEWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-8-3-1-2-4-9(8)14-10-7-12-5-6-13-10/h1-7H.
What are the key properties of 2-(2-bromophenoxy)pyrazine?
2-(2-bromophenoxy)pyrazine 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-(2-bromophenoxy)pyrazine is sourced from PubChem (CID 14689440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).