3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine

C13H20BrN — CID 123872868

IUPAC3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine
SMILESCCC(C)c1ncccc1CC(C)CBr
InChIInChI=1S/C13H20BrN/c1-4-11(3)13-12(6-5-7-15-13)8-10(2)9-14/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyYZPDXFWWBYOYKV-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.17
Rot. Bonds5

About 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine

3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine (PubChem CID 123872868) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine.

Molecular Properties

Compound Name3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine
PubChem CID123872868
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine
SMILESCCC(C)c1ncccc1CC(C)CBr
InChIInChI=1S/C13H20BrN/c1-4-11(3)13-12(6-5-7-15-13)8-10(2)9-14/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyYZPDXFWWBYOYKV-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yl-3-(4-methylphenyl)pyridine
CID 144506190
2-butan-2-yl-3-(2-methoxyethoxy)pyridine
CID 176934117
3-(fluoromethyl)-2-propan-2-ylpyridine
CID 147644116
3-butan-2-yl-[1,2]oxazolo[5,4-b]pyridine
CID 144655994
8-butan-2-ylimidazo[1,2-a]pyrazine;ethane
CID 178009513
ethane;2-(2-methylbutyl)pyrimidine
CID 170603864
1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
CID 102863780
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-amine
CID 82729735
2-[(1R)-1-aminopropyl]pyridin-3-amine
CID 131036341
3-(bromomethyl)-2-propylpyridine
CID 141230444
2-butan-2-yl-3-[6-[2-[6-(2-butan-2-yl-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]pyridine
CID 58162308
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine?
The IUPAC name of 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine (CID 123872868) is 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine.
What is the SMILES notation for 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine?
The canonical SMILES for 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine is CCC(C)c1ncccc1CC(C)CBr.
What is the InChIKey of 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine?
The InChIKey is YZPDXFWWBYOYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-11(3)13-12(6-5-7-15-13)8-10(2)9-14/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine?
3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine has a molecular weight of 270.21 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylpropyl)-2-butan-2-ylpyridine is sourced from PubChem (CID 123872868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).