5-bromo-2-chloro-3-phenylmethoxypyrazine

C11H8BrClN2O — CID 121218854

IUPAC5-bromo-2-chloro-3-phenylmethoxypyrazine
SMILESClc1ncc(Br)nc1OCc1ccccc1
InChIInChI=1S/C11H8BrClN2O/c12-9-6-14-10(13)11(15-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyKOIZNXMVTYAMMV-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.47
Rot. Bonds3

About 5-bromo-2-chloro-3-phenylmethoxypyrazine

5-bromo-2-chloro-3-phenylmethoxypyrazine (PubChem CID 121218854) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-phenylmethoxypyrazine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-phenylmethoxypyrazine
PubChem CID121218854
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name5-bromo-2-chloro-3-phenylmethoxypyrazine
SMILESClc1ncc(Br)nc1OCc1ccccc1
InChIInChI=1S/C11H8BrClN2O/c12-9-6-14-10(13)11(15-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyKOIZNXMVTYAMMV-UHFFFAOYSA-N
XLogP3.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-phenylmethoxypyrazine?
The IUPAC name of 5-bromo-2-chloro-3-phenylmethoxypyrazine (CID 121218854) is 5-bromo-2-chloro-3-phenylmethoxypyrazine.
What is the SMILES notation for 5-bromo-2-chloro-3-phenylmethoxypyrazine?
The canonical SMILES for 5-bromo-2-chloro-3-phenylmethoxypyrazine is Clc1ncc(Br)nc1OCc1ccccc1.
What is the InChIKey of 5-bromo-2-chloro-3-phenylmethoxypyrazine?
The InChIKey is KOIZNXMVTYAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-9-6-14-10(13)11(15-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 5-bromo-2-chloro-3-phenylmethoxypyrazine?
5-bromo-2-chloro-3-phenylmethoxypyrazine has a molecular weight of 299.56 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-phenylmethoxypyrazine is sourced from PubChem (CID 121218854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).