2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine

C13H14BrNO — CID 79084149

IUPAC2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine
SMILESCCc1ccc(C(Br)Cc2ccccn2)o1
InChIInChI=1S/C13H14BrNO/c1-2-11-6-7-13(16-11)12(14)9-10-5-3-4-8-15-10/h3-8,12H,2,9H2,1H3
InChIKeyCSOKOYPXQFXUFN-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.92
Rot. Bonds4

About 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine

2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine (PubChem CID 79084149) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine
PubChem CID79084149
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine
SMILESCCc1ccc(C(Br)Cc2ccccn2)o1
InChIInChI=1S/C13H14BrNO/c1-2-11-6-7-13(16-11)12(14)9-10-5-3-4-8-15-10/h3-8,12H,2,9H2,1H3
InChIKeyCSOKOYPXQFXUFN-UHFFFAOYSA-N
XLogP3.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.92
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-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine
CID 79084316
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095
2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
CID 66455045
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
CID 79819392
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
2-(2-bromodecyl)pyridine
CID 66452883
ethane;2-ethylpyridine;methane
CID 142439308

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine (CID 79084149) is 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine is CCc1ccc(C(Br)Cc2ccccn2)o1.
What is the InChIKey of 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine?
The InChIKey is CSOKOYPXQFXUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-2-11-6-7-13(16-11)12(14)9-10-5-3-4-8-15-10/h3-8,12H,2,9H2,1H3.
What are the key properties of 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine?
2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine has a molecular weight of 280.16 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine is sourced from PubChem (CID 79084149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).