2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine

C17H20BrN — CID 66455038

IUPAC2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
SMILESCC(C)(C)c1ccc(C(Br)Cc2ccccn2)cc1
InChIInChI=1S/C17H20BrN/c1-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-4-5-11-19-15/h4-11,16H,12H2,1-3H3
InChIKeyVOSVGRGHBHJSJH-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.06
Rot. Bonds3

About 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine

2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine (PubChem CID 66455038) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
PubChem CID66455038
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
SMILESCC(C)(C)c1ccc(C(Br)Cc2ccccn2)cc1
InChIInChI=1S/C17H20BrN/c1-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-4-5-11-19-15/h4-11,16H,12H2,1-3H3
InChIKeyVOSVGRGHBHJSJH-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.06
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-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
CID 66454388
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
2-(2-methoxy-3,3-dimethylbutyl)pyridine
CID 86130938
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095
2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine
CID 55162997
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
CID 79819392
2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine
CID 79084149
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine (CID 66455038) is 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine is CC(C)(C)c1ccc(C(Br)Cc2ccccn2)cc1.
What is the InChIKey of 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine?
The InChIKey is VOSVGRGHBHJSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-17(2,3)14-9-7-13(8-10-14)16(18)12-15-6-4-5-11-19-15/h4-11,16H,12H2,1-3H3.
What are the key properties of 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine?
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine has a molecular weight of 318.26 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine is sourced from PubChem (CID 66455038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).