2-bromo-5-(2,2-dimethylpropoxy)pyrazine

C9H13BrN2O — CID 155791923

IUPAC2-bromo-5-(2,2-dimethylpropoxy)pyrazine
SMILESCC(C)(C)COc1cnc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-9(2,3)6-13-8-5-11-7(10)4-12-8/h4-5H,6H2,1-3H3
InChIKeyZOQSWRCQEHZLIV-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.66
Rot. Bonds2

About 2-bromo-5-(2,2-dimethylpropoxy)pyrazine

2-bromo-5-(2,2-dimethylpropoxy)pyrazine (PubChem CID 155791923) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-5-(2,2-dimethylpropoxy)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(2,2-dimethylpropoxy)pyrazine
PubChem CID155791923
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-bromo-5-(2,2-dimethylpropoxy)pyrazine
SMILESCC(C)(C)COc1cnc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-9(2,3)6-13-8-5-11-7(10)4-12-8/h4-5H,6H2,1-3H3
InChIKeyZOQSWRCQEHZLIV-UHFFFAOYSA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-but-3-ynoxypyrazine
CID 130540703
2-(2,2-dimethylpropoxy)-5-(2,2-dimethylpropyl)pyridine
CID 177282549
2-bromo-5-phenylmethoxypyrazine
CID 46738200
2-bromo-5-(3-methylbutan-2-yloxy)pyrazine
CID 126979888
[6-(2,2-dimethylpropoxy)-3-pyridinyl]boronic acid
CID 57460911
2-(2,2-dimethylpropoxy)-6-methylpyrazine;ethane
CID 145378977
2-(2,2-difluoropropoxy)-5-propan-2-ylpyrazine
CID 176740567
6-bromo-2-(2,2-dimethylpropoxy)quinoline
CID 177434912
tert-butyl 3-[(5-bromopyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 167713477
1,4-bis(2,2-dimethylpropoxy)-2,5-diiodobenzene
CID 86032793
N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine
CID 107382302
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
CID 134332018

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,2-dimethylpropoxy)pyrazine?
The IUPAC name of 2-bromo-5-(2,2-dimethylpropoxy)pyrazine (CID 155791923) is 2-bromo-5-(2,2-dimethylpropoxy)pyrazine.
What is the SMILES notation for 2-bromo-5-(2,2-dimethylpropoxy)pyrazine?
The canonical SMILES for 2-bromo-5-(2,2-dimethylpropoxy)pyrazine is CC(C)(C)COc1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-(2,2-dimethylpropoxy)pyrazine?
The InChIKey is ZOQSWRCQEHZLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-9(2,3)6-13-8-5-11-7(10)4-12-8/h4-5H,6H2,1-3H3.
What are the key properties of 2-bromo-5-(2,2-dimethylpropoxy)pyrazine?
2-bromo-5-(2,2-dimethylpropoxy)pyrazine has a molecular weight of 245.12 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2,2-dimethylpropoxy)pyrazine is sourced from PubChem (CID 155791923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).