2-bromo-5-phenylmethoxypyrazine

C11H9BrN2O — CID 46738200

IUPAC2-bromo-5-phenylmethoxypyrazine
SMILESBrc1cnc(OCc2ccccc2)cn1
InChIInChI=1S/C11H9BrN2O/c12-10-6-14-11(7-13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyAPTDXZWQIHBNTO-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.82
Rot. Bonds3

About 2-bromo-5-phenylmethoxypyrazine

2-bromo-5-phenylmethoxypyrazine (PubChem CID 46738200) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-bromo-5-phenylmethoxypyrazine.

Molecular Properties

Compound Name2-bromo-5-phenylmethoxypyrazine
PubChem CID46738200
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name2-bromo-5-phenylmethoxypyrazine
SMILESBrc1cnc(OCc2ccccc2)cn1
InChIInChI=1S/C11H9BrN2O/c12-10-6-14-11(7-13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyAPTDXZWQIHBNTO-UHFFFAOYSA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-phenylmethoxypyrazine
CID 129054090
2-ethyl-5-phenylmethoxypyrazine
CID 144823706
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
2-bromo-4-methoxy-6-phenylmethoxypyridine
CID 21471070
2-bromo-5-(2,2-dimethylpropoxy)pyrazine
CID 155791923
pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane
CID 132571637
2-bromo-8-phenylmethoxyquinoxaline
CID 133061974
4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
CID 19690807
5-deuterio-3-phenylmethoxy-1,2-thiazole
CID 11019693

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-phenylmethoxypyrazine?
The IUPAC name of 2-bromo-5-phenylmethoxypyrazine (CID 46738200) is 2-bromo-5-phenylmethoxypyrazine.
What is the SMILES notation for 2-bromo-5-phenylmethoxypyrazine?
The canonical SMILES for 2-bromo-5-phenylmethoxypyrazine is Brc1cnc(OCc2ccccc2)cn1.
What is the InChIKey of 2-bromo-5-phenylmethoxypyrazine?
The InChIKey is APTDXZWQIHBNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-6-14-11(7-13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-bromo-5-phenylmethoxypyrazine?
2-bromo-5-phenylmethoxypyrazine has a molecular weight of 265.11 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenylmethoxypyrazine is sourced from PubChem (CID 46738200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).