4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine

C15H16BrN — CID 66454835

IUPAC4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
SMILESCCc1ccc(C(Br)Cc2ccncc2)cc1
InChIInChI=1S/C15H16BrN/c1-2-12-3-5-14(6-4-12)15(16)11-13-7-9-17-10-8-13/h3-10,15H,2,11H2,1H3
InChIKeySONKHTTZNQYROA-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.32
Rot. Bonds4

About 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine

4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine (PubChem CID 66454835) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
PubChem CID66454835
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
SMILESCCc1ccc(C(Br)Cc2ccncc2)cc1
InChIInChI=1S/C15H16BrN/c1-2-12-3-5-14(6-4-12)15(16)11-13-7-9-17-10-8-13/h3-10,15H,2,11H2,1H3
InChIKeySONKHTTZNQYROA-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
CID 66452680
ethane;4-ethylpyridine
CID 142005045
4-[chloro-(4-ethylphenyl)methyl]pyridine
CID 114996829
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
ethanol;4-ethylpyridine
CID 174816615
ethane;4-ethylpyridine;methanol
CID 143096814
1-(4-ethylphenyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 43484668
1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
CID 12946959
CID 167540277
CID 167540277

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine (CID 66454835) is 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine is CCc1ccc(C(Br)Cc2ccncc2)cc1.
What is the InChIKey of 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine?
The InChIKey is SONKHTTZNQYROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-2-12-3-5-14(6-4-12)15(16)11-13-7-9-17-10-8-13/h3-10,15H,2,11H2,1H3.
What are the key properties of 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine?
4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine has a molecular weight of 290.20 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine is sourced from PubChem (CID 66454835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).