2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine

C13H10BrCl2N — CID 66454612

IUPAC2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
SMILESClc1ccc(C(Br)Cc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H10BrCl2N/c14-12(8-10-3-1-2-6-17-10)11-5-4-9(15)7-13(11)16/h1-7,12H,8H2
InChIKeyAIZYMVZPLVIDDF-UHFFFAOYSA-N
MW331.04 g/mol
LogP5.07
Rot. Bonds3

About 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine

2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine (PubChem CID 66454612) has the molecular formula C13H10BrCl2N and a molecular weight of 331.04 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
PubChem CID66454612
Molecular FormulaC13H10BrCl2N
Molecular Weight331.04 g/mol
Exact Mass328.94
IUPAC Name2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
SMILESClc1ccc(C(Br)Cc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H10BrCl2N/c14-12(8-10-3-1-2-6-17-10)11-5-4-9(15)7-13(11)16/h1-7,12H,8H2
InChIKeyAIZYMVZPLVIDDF-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.04
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-bromo-2-(2,4-dichlorophenyl)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

2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
CID 66459431
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
CID 107958138
7-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
CID 58543019
2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
CID 66454388
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118845
1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
CID 60797375
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
CID 79819392
2-[2-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
CID 82878772
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114
1-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid
CID 3942959
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine (CID 66454612) is 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine is Clc1ccc(C(Br)Cc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine?
The InChIKey is AIZYMVZPLVIDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N/c14-12(8-10-3-1-2-6-17-10)11-5-4-9(15)7-13(11)16/h1-7,12H,8H2.
What are the key properties of 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine?
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine has a molecular weight of 331.04 g/mol, XLogP of 5.07, 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-(2,4-dichlorophenyl)ethyl]pyridine is sourced from PubChem (CID 66454612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).