4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine

C13H10BrCl2N — CID 66452456

IUPAC4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
SMILESClc1cc(Cl)cc(C(Br)Cc2ccncc2)c1
InChIInChI=1S/C13H10BrCl2N/c14-13(5-9-1-3-17-4-2-9)10-6-11(15)8-12(16)7-10/h1-4,6-8,13H,5H2
InChIKeyFRMFULQPYRMRCY-UHFFFAOYSA-N
MW331.04 g/mol
LogP5.07
Rot. Bonds3

About 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine

4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine (PubChem CID 66452456) has the molecular formula C13H10BrCl2N and a molecular weight of 331.04 g/mol. Its IUPAC name is 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
PubChem CID66452456
Molecular FormulaC13H10BrCl2N
Molecular Weight331.04 g/mol
Exact Mass328.94
IUPAC Name4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
SMILESClc1cc(Cl)cc(C(Br)Cc2ccncc2)c1
InChIInChI=1S/C13H10BrCl2N/c14-13(5-9-1-3-17-4-2-9)10-6-11(15)8-12(16)7-10/h1-4,6-8,13H,5H2
InChIKeyFRMFULQPYRMRCY-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'}

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Related Compounds

1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
CID 107958110
4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
CID 66452680
4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
CID 66454835
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
CID 63543838
1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene
CID 107958041
2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
CID 61096584
4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine
CID 106690746
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
CID 12946959
2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
CID 82085002

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine (CID 66452456) is 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine is Clc1cc(Cl)cc(C(Br)Cc2ccncc2)c1.
What is the InChIKey of 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine?
The InChIKey is FRMFULQPYRMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N/c14-13(5-9-1-3-17-4-2-9)10-6-11(15)8-12(16)7-10/h1-4,6-8,13H,5H2.
What are the key properties of 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine?
4-[2-bromo-2-(3,5-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 4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine is sourced from PubChem (CID 66452456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).