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

C14H13BrFN — CID 66455091

IUPAC2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2ccc(F)cc2)nc1
InChIInChI=1S/C14H13BrFN/c1-10-2-7-13(17-9-10)8-14(15)11-3-5-12(16)6-4-11/h2-7,9,14H,8H2,1H3
InChIKeyPJBRXAIUWVLHGU-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.21
Rot. Bonds3

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

2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine (PubChem CID 66455091) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
PubChem CID66455091
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC Name2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2ccc(F)cc2)nc1
InChIInChI=1S/C14H13BrFN/c1-10-2-7-13(17-9-10)8-14(15)11-3-5-12(16)6-4-11/h2-7,9,14H,8H2,1H3
InChIKeyPJBRXAIUWVLHGU-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.21
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-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66455303
2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine
CID 66453362
2-[2-bromo-2-(3-bromo-4-chlorophenyl)ethyl]-5-methylpyridine
CID 107995683
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-bromo-6-fluorophenyl)ethyl]-5-methylpyridine
CID 114561365
2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine
CID 79690130
2-[2-bromo-2-(2-chlorophenyl)ethyl]-5-methylpyridine
CID 66452495
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
CID 66452680
2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
CID 66461822

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine (CID 66455091) is 2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Br)c2ccc(F)cc2)nc1.
What is the InChIKey of 2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine?
The InChIKey is PJBRXAIUWVLHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-10-2-7-13(17-9-10)8-14(15)11-3-5-12(16)6-4-11/h2-7,9,14H,8H2,1H3.
What are the key properties of 2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine?
2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine has a molecular weight of 294.17 g/mol, XLogP of 4.21, 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-(4-fluorophenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 66455091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).