2-(2-bromopentan-3-yl)pyrazine

C9H13BrN2 — CID 63203717

IUPAC2-(2-bromopentan-3-yl)pyrazine
SMILESCCC(c1cnccn1)C(C)Br
InChIInChI=1S/C9H13BrN2/c1-3-8(7(2)10)9-6-11-4-5-12-9/h4-8H,3H2,1-2H3
InChIKeyGZYAPFBODJAEIE-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-bromopentan-3-yl)pyrazine

2-(2-bromopentan-3-yl)pyrazine (PubChem CID 63203717) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(2-bromopentan-3-yl)pyrazine.

Molecular Properties

Compound Name2-(2-bromopentan-3-yl)pyrazine
PubChem CID63203717
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name2-(2-bromopentan-3-yl)pyrazine
SMILESCCC(c1cnccn1)C(C)Br
InChIInChI=1S/C9H13BrN2/c1-3-8(7(2)10)9-6-11-4-5-12-9/h4-8H,3H2,1-2H3
InChIKeyGZYAPFBODJAEIE-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloropentan-3-yl)pyrazine
CID 63203167
1-pyrazin-2-ylethylphosphane
CID 59073972
1-phenyl-2-pyrazin-2-ylbutan-1-amine
CID 57009177
2-(1-ethoxyethyl)pyrazine
CID 71406239
4-pyrazin-2-ylpentan-2-amine
CID 64721175
(2R)-2-(1-pyrazin-2-ylethylamino)butan-1-ol
CID 103922625
(2-phenyl-1-pyrazin-2-ylbutyl)hydrazine
CID 105308706
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
2-[(2R)-but-3-yn-2-yl]pyrazine
CID 143800515
2-bromo-2-pyrazin-2-ylacetaldehyde
CID 87311321
azane;3-methyl-2-(1-pyrazin-2-ylethyl)pentanoic acid
CID 173370467
2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine
CID 65136135

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopentan-3-yl)pyrazine?
The IUPAC name of 2-(2-bromopentan-3-yl)pyrazine (CID 63203717) is 2-(2-bromopentan-3-yl)pyrazine.
What is the SMILES notation for 2-(2-bromopentan-3-yl)pyrazine?
The canonical SMILES for 2-(2-bromopentan-3-yl)pyrazine is CCC(c1cnccn1)C(C)Br.
What is the InChIKey of 2-(2-bromopentan-3-yl)pyrazine?
The InChIKey is GZYAPFBODJAEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-3-8(7(2)10)9-6-11-4-5-12-9/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-bromopentan-3-yl)pyrazine?
2-(2-bromopentan-3-yl)pyrazine has a molecular weight of 229.12 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopentan-3-yl)pyrazine is sourced from PubChem (CID 63203717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).