2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine

C14H12BrClFN — CID 66453362

IUPAC2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2ccc(F)cc2Cl)nc1
InChIInChI=1S/C14H12BrClFN/c1-9-2-4-11(18-8-9)7-13(15)12-5-3-10(17)6-14(12)16/h2-6,8,13H,7H2,1H3
InChIKeyUXDUMNQMBPHUEP-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.86
Rot. Bonds3

About 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine

2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine (PubChem CID 66453362) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine
PubChem CID66453362
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2ccc(F)cc2Cl)nc1
InChIInChI=1S/C14H12BrClFN/c1-9-2-4-11(18-8-9)7-13(15)12-5-3-10(17)6-14(12)16/h2-6,8,13H,7H2,1H3
InChIKeyUXDUMNQMBPHUEP-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.86
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-chlorophenyl)ethyl]-5-methylpyridine
CID 66452495
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
CID 66455091
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
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
1-[1-bromo-2-(2-methylphenyl)ethyl]-2-chloro-4-fluorobenzene
CID 63544531
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66461226
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-5-methylpyridine
CID 80641674
N-[1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446354
N-[2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 104801920

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine (CID 66453362) is 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Br)c2ccc(F)cc2Cl)nc1.
What is the InChIKey of 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine?
The InChIKey is UXDUMNQMBPHUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-9-2-4-11(18-8-9)7-13(15)12-5-3-10(17)6-14(12)16/h2-6,8,13H,7H2,1H3.
What are the key properties of 2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine?
2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine has a molecular weight of 328.61 g/mol, XLogP of 4.86, 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-chloro-4-fluorophenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 66453362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).