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

C14H12BrCl2N — CID 66455303

IUPAC2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C14H12BrCl2N/c1-9-2-4-11(18-8-9)7-12(15)10-3-5-13(16)14(17)6-10/h2-6,8,12H,7H2,1H3
InChIKeyPREUHMHRHIKWLL-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.38
Rot. Bonds3

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

2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine (PubChem CID 66455303) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine
PubChem CID66455303
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C14H12BrCl2N/c1-9-2-4-11(18-8-9)7-12(15)10-3-5-13(16)14(17)6-10/h2-6,8,12H,7H2,1H3
InChIKeyPREUHMHRHIKWLL-UHFFFAOYSA-N
XLogP5.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.38
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

2-[2-bromo-2-(3-bromo-4-chlorophenyl)ethyl]-5-methylpyridine
CID 107995683
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
CID 66455091
2-[2-bromo-2-(3-iodophenyl)ethyl]-5-methylpyridine
CID 66454437
2-[2-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-5-methylpyridine
CID 66455523
2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine
CID 66452495
2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine
CID 66453362
2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine
CID 82890690
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-5-methylpyridine
CID 80641674
2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine
CID 79690130
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine (CID 66455303) is 2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Br)c2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine?
The InChIKey is PREUHMHRHIKWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-9-2-4-11(18-8-9)7-12(15)10-3-5-13(16)14(17)6-10/h2-6,8,12H,7H2,1H3.
What are the key properties of 2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine?
2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine has a molecular weight of 345.07 g/mol, XLogP of 5.38, 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-(3,4-dichlorophenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 66455303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).