2-bromo-5-(3-methylbutan-2-yloxy)pyrazine

C9H13BrN2O — CID 126979888

IUPAC2-bromo-5-(3-methylbutan-2-yloxy)pyrazine
SMILESCC(C)C(C)Oc1cnc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-6(2)7(3)13-9-5-11-8(10)4-12-9/h4-7H,1-3H3
InChIKeyQEUZTAJISZHQDS-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.66
Rot. Bonds3

About 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine

2-bromo-5-(3-methylbutan-2-yloxy)pyrazine (PubChem CID 126979888) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(3-methylbutan-2-yloxy)pyrazine
PubChem CID126979888
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-bromo-5-(3-methylbutan-2-yloxy)pyrazine
SMILESCC(C)C(C)Oc1cnc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-6(2)7(3)13-9-5-11-8(10)4-12-9/h4-7H,1-3H3
InChIKeyQEUZTAJISZHQDS-UHFFFAOYSA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine?
The IUPAC name of 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine (CID 126979888) is 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine.
What is the SMILES notation for 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine?
The canonical SMILES for 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine is CC(C)C(C)Oc1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine?
The InChIKey is QEUZTAJISZHQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-6(2)7(3)13-9-5-11-8(10)4-12-9/h4-7H,1-3H3.
What are the key properties of 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine?
2-bromo-5-(3-methylbutan-2-yloxy)pyrazine has a molecular weight of 245.12 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methylbutan-2-yloxy)pyrazine is sourced from PubChem (CID 126979888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).