2-bromo-3-(3-methyloctan-3-yl)pyrazine

C13H21BrN2 — CID 146376762

IUPAC2-bromo-3-(3-methyloctan-3-yl)pyrazine
SMILESCCCCCC(C)(CC)c1nccnc1Br
InChIInChI=1S/C13H21BrN2/c1-4-6-7-8-13(3,5-2)11-12(14)16-10-9-15-11/h9-10H,4-8H2,1-3H3
InChIKeyOKVUYPFQVGGILW-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.49
Rot. Bonds6

About 2-bromo-3-(3-methyloctan-3-yl)pyrazine

2-bromo-3-(3-methyloctan-3-yl)pyrazine (PubChem CID 146376762) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-bromo-3-(3-methyloctan-3-yl)pyrazine.

Molecular Properties

Compound Name2-bromo-3-(3-methyloctan-3-yl)pyrazine
PubChem CID146376762
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name2-bromo-3-(3-methyloctan-3-yl)pyrazine
SMILESCCCCCC(C)(CC)c1nccnc1Br
InChIInChI=1S/C13H21BrN2/c1-4-6-7-8-13(3,5-2)11-12(14)16-10-9-15-11/h9-10H,4-8H2,1-3H3
InChIKeyOKVUYPFQVGGILW-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
CID 146376749
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
4,5-difluoro-6-(3-methyloctan-3-yl)pyrimidine
CID 146377311
5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
CID 146377317
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
4-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377921
2,4-dibromo-5-(6-methyldodecan-6-yl)-1,3-thiazole
CID 146379588
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
2-fluoro-6-(3-methyloctan-3-yl)pyrazine
CID 146377439
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine
CID 146377305

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-methyloctan-3-yl)pyrazine?
The IUPAC name of 2-bromo-3-(3-methyloctan-3-yl)pyrazine (CID 146376762) is 2-bromo-3-(3-methyloctan-3-yl)pyrazine.
What is the SMILES notation for 2-bromo-3-(3-methyloctan-3-yl)pyrazine?
The canonical SMILES for 2-bromo-3-(3-methyloctan-3-yl)pyrazine is CCCCCC(C)(CC)c1nccnc1Br.
What is the InChIKey of 2-bromo-3-(3-methyloctan-3-yl)pyrazine?
The InChIKey is OKVUYPFQVGGILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-4-6-7-8-13(3,5-2)11-12(14)16-10-9-15-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-bromo-3-(3-methyloctan-3-yl)pyrazine?
2-bromo-3-(3-methyloctan-3-yl)pyrazine has a molecular weight of 285.23 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-methyloctan-3-yl)pyrazine is sourced from PubChem (CID 146376762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).