5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine

C13H9BrCl3N — CID 143396653

IUPAC5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine
SMILESClCC(c1ccc(Br)cn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl3N/c14-8-1-4-13(18-7-8)11(6-15)10-3-2-9(16)5-12(10)17/h1-5,7,11H,6H2
InChIKeyKBOXPLZDVBCEKY-UHFFFAOYSA-N
MW365.49 g/mol
LogP5.52
Rot. Bonds3

About 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine

5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine (PubChem CID 143396653) has the molecular formula C13H9BrCl3N and a molecular weight of 365.49 g/mol. Its IUPAC name is 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine
PubChem CID143396653
Molecular FormulaC13H9BrCl3N
Molecular Weight365.49 g/mol
Exact Mass362.90
IUPAC Name5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine
SMILESClCC(c1ccc(Br)cn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9BrCl3N/c14-8-1-4-13(18-7-8)11(6-15)10-3-2-9(16)5-12(10)17/h1-5,7,11H,6H2
InChIKeyKBOXPLZDVBCEKY-UHFFFAOYSA-N
XLogP5.52
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 ≤ 55.52
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

(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
CID 115606070
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945
N-[(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114660511
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine
CID 21354222
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270641

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine?
The IUPAC name of 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine (CID 143396653) is 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine?
The canonical SMILES for 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine is ClCC(c1ccc(Br)cn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine?
The InChIKey is KBOXPLZDVBCEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3N/c14-8-1-4-13(18-7-8)11(6-15)10-3-2-9(16)5-12(10)17/h1-5,7,11H,6H2.
What are the key properties of 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine?
5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine has a molecular weight of 365.49 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine is sourced from PubChem (CID 143396653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).