2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine

C14H13BrClN — CID 66452495

IUPAC2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2ccccc2Cl)nc1
InChIInChI=1S/C14H13BrClN/c1-10-6-7-11(17-9-10)8-13(15)12-4-2-3-5-14(12)16/h2-7,9,13H,8H2,1H3
InChIKeyUDWQBVKRONXWPI-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.72
Rot. Bonds3

About 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine

2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine (PubChem CID 66452495) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine
PubChem CID66452495
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2ccccc2Cl)nc1
InChIInChI=1S/C14H13BrClN/c1-10-6-7-11(17-9-10)8-13(15)12-4-2-3-5-14(12)16/h2-7,9,13H,8H2,1H3
InChIKeyUDWQBVKRONXWPI-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.72
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

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-(3,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66455303
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-5-methylpyridine
CID 80641674
2-[2-bromo-2-(3-bromo-4-chlorophenyl)ethyl]-5-methylpyridine
CID 107995683
2-[2-bromo-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-5-methylpyridine
CID 66455306
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-(2-bromo-6-fluorophenyl)ethyl]-5-methylpyridine
CID 114561365
2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66461226

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine (CID 66452495) is 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Br)c2ccccc2Cl)nc1.
What is the InChIKey of 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine?
The InChIKey is UDWQBVKRONXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-10-6-7-11(17-9-10)8-13(15)12-4-2-3-5-14(12)16/h2-7,9,13H,8H2,1H3.
What are the key properties of 2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine?
2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine has a molecular weight of 310.62 g/mol, XLogP of 4.72, 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-(2-chlorophenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 66452495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).