4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine

C13H11BrFN — CID 66452680

IUPAC4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
SMILESFc1ccc(C(Br)Cc2ccncc2)cc1
InChIInChI=1S/C13H11BrFN/c14-13(9-10-5-7-16-8-6-10)11-1-3-12(15)4-2-11/h1-8,13H,9H2
InChIKeyYWIHEMVWBHPOQZ-UHFFFAOYSA-N
MW280.14 g/mol
LogP3.90
Rot. Bonds3

About 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine

4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine (PubChem CID 66452680) has the molecular formula C13H11BrFN and a molecular weight of 280.14 g/mol. Its IUPAC name is 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
PubChem CID66452680
Molecular FormulaC13H11BrFN
Molecular Weight280.14 g/mol
Exact Mass279.01
IUPAC Name4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
SMILESFc1ccc(C(Br)Cc2ccncc2)cc1
InChIInChI=1S/C13H11BrFN/c14-13(9-10-5-7-16-8-6-10)11-1-3-12(15)4-2-11/h1-8,13H,9H2
InChIKeyYWIHEMVWBHPOQZ-UHFFFAOYSA-N
XLogP3.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 53.90
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

4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
CID 66454835
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
[1-(4-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105192807
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
1-(4-fluorophenyl)-2-(4-pyridin-4-ylphenyl)ethanol
CID 67902820
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
CID 12946959
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115482997

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine (CID 66452680) is 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine is Fc1ccc(C(Br)Cc2ccncc2)cc1.
What is the InChIKey of 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine?
The InChIKey is YWIHEMVWBHPOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN/c14-13(9-10-5-7-16-8-6-10)11-1-3-12(15)4-2-11/h1-8,13H,9H2.
What are the key properties of 4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine?
4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine has a molecular weight of 280.14 g/mol, XLogP of 3.90, 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-(4-fluorophenyl)ethyl]pyridine is sourced from PubChem (CID 66452680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).