4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine

C13H9BrCl3N — CID 112656071

IUPAC4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine
SMILESClc1cnccc1CC(Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9BrCl3N/c14-10(6-8-4-5-18-7-12(8)16)9-2-1-3-11(15)13(9)17/h1-5,7,10H,6H2
InChIKeyGVUBIGFWBJUODT-UHFFFAOYSA-N
MW365.49 g/mol
LogP5.72
Rot. Bonds3

About 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine

4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine (PubChem CID 112656071) has the molecular formula C13H9BrCl3N and a molecular weight of 365.49 g/mol. Its IUPAC name is 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine
PubChem CID112656071
Molecular FormulaC13H9BrCl3N
Molecular Weight365.49 g/mol
Exact Mass362.90
IUPAC Name4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine
SMILESClc1cnccc1CC(Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9BrCl3N/c14-10(6-8-4-5-18-7-12(8)16)9-2-1-3-11(15)13(9)17/h1-5,7,10H,6H2
InChIKeyGVUBIGFWBJUODT-UHFFFAOYSA-N
XLogP5.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.49
LogP ≤ 55.72
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

4-(2-bromo-2-naphthalen-1-ylethyl)-3-chloropyridine
CID 115985139
4-[2-(1-benzofuran-3-yl)-2-bromoethyl]-3-chloropyridine
CID 112656115
4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
[1-(2-chlorophenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105211070
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806
2-(2-chlorophenyl)-3-(3-chloro-4-pyridinyl)propanoic acid
CID 79439912
4-[2-(1-benzothiophen-2-yl)-2-bromoethyl]-3-chloropyridine
CID 112656160
4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine
CID 114824018
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
4-(2-bromo-4,4-dimethylpentyl)-3-chloropyridine
CID 112656202

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine?
The IUPAC name of 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine (CID 112656071) is 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine.
What is the SMILES notation for 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine?
The canonical SMILES for 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine is Clc1cnccc1CC(Br)c1cccc(Cl)c1Cl.
What is the InChIKey of 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine?
The InChIKey is GVUBIGFWBJUODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3N/c14-10(6-8-4-5-18-7-12(8)16)9-2-1-3-11(15)13(9)17/h1-5,7,10H,6H2.
What are the key properties of 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine?
4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine has a molecular weight of 365.49 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine is sourced from PubChem (CID 112656071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).