2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine

C15H15BrClN — CID 82890690

IUPAC2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2cc(Cl)ccc2C)nc1
InChIInChI=1S/C15H15BrClN/c1-10-3-6-13(18-9-10)8-15(16)14-7-12(17)5-4-11(14)2/h3-7,9,15H,8H2,1-2H3
InChIKeyYWBDCXRXNVXUKZ-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.03
Rot. Bonds3

About 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine

2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine (PubChem CID 82890690) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine
PubChem CID82890690
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2cc(Cl)ccc2C)nc1
InChIInChI=1S/C15H15BrClN/c1-10-3-6-13(18-9-10)8-15(16)14-7-12(17)5-4-11(14)2/h3-7,9,15H,8H2,1-2H3
InChIKeyYWBDCXRXNVXUKZ-UHFFFAOYSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine (CID 82890690) is 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Br)c2cc(Cl)ccc2C)nc1.
What is the InChIKey of 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine?
The InChIKey is YWBDCXRXNVXUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-3-6-13(18-9-10)8-15(16)14-7-12(17)5-4-11(14)2/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine?
2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine has a molecular weight of 324.65 g/mol, XLogP of 5.03, 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-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 82890690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).