2-(3-bromo-4-ethylhexan-2-yl)pyridine

C13H20BrN — CID 66453992

IUPAC2-(3-bromo-4-ethylhexan-2-yl)pyridine
SMILESCCC(CC)C(Br)C(C)c1ccccn1
InChIInChI=1S/C13H20BrN/c1-4-11(5-2)13(14)10(3)12-8-6-7-9-15-12/h6-11,13H,4-5H2,1-3H3
InChIKeyOGEKBGWCSSBHLB-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.38
Rot. Bonds5

About 2-(3-bromo-4-ethylhexan-2-yl)pyridine

2-(3-bromo-4-ethylhexan-2-yl)pyridine (PubChem CID 66453992) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(3-bromo-4-ethylhexan-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-bromo-4-ethylhexan-2-yl)pyridine
PubChem CID66453992
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name2-(3-bromo-4-ethylhexan-2-yl)pyridine
SMILESCCC(CC)C(Br)C(C)c1ccccn1
InChIInChI=1S/C13H20BrN/c1-4-11(5-2)13(14)10(3)12-8-6-7-9-15-12/h6-11,13H,4-5H2,1-3H3
InChIKeyOGEKBGWCSSBHLB-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
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-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
ethane;2-pentan-3-ylpyridine
CID 142883968
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine
CID 79084316
2-(3-bromo-4-methylsulfonylbutan-2-yl)pyridine
CID 66453564
3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
CID 63842105
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
CID 66452265

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-ethylhexan-2-yl)pyridine?
The IUPAC name of 2-(3-bromo-4-ethylhexan-2-yl)pyridine (CID 66453992) is 2-(3-bromo-4-ethylhexan-2-yl)pyridine.
What is the SMILES notation for 2-(3-bromo-4-ethylhexan-2-yl)pyridine?
The canonical SMILES for 2-(3-bromo-4-ethylhexan-2-yl)pyridine is CCC(CC)C(Br)C(C)c1ccccn1.
What is the InChIKey of 2-(3-bromo-4-ethylhexan-2-yl)pyridine?
The InChIKey is OGEKBGWCSSBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-11(5-2)13(14)10(3)12-8-6-7-9-15-12/h6-11,13H,4-5H2,1-3H3.
What are the key properties of 2-(3-bromo-4-ethylhexan-2-yl)pyridine?
2-(3-bromo-4-ethylhexan-2-yl)pyridine has a molecular weight of 270.21 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-ethylhexan-2-yl)pyridine is sourced from PubChem (CID 66453992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).