2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine

C15H15BrFNO — CID 81284243

IUPAC2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
SMILESCOc1cc(C(Br)Cc2ncccc2C)ccc1F
InChIInChI=1S/C15H15BrFNO/c1-10-4-3-7-18-14(10)9-12(16)11-5-6-13(17)15(8-11)19-2/h3-8,12H,9H2,1-2H3
InChIKeySQXMUBJQJNNWDK-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.22
Rot. Bonds4

About 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine

2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine (PubChem CID 81284243) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
PubChem CID81284243
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
SMILESCOc1cc(C(Br)Cc2ncccc2C)ccc1F
InChIInChI=1S/C15H15BrFNO/c1-10-4-3-7-18-14(10)9-12(16)11-5-6-13(17)15(8-11)19-2/h3-8,12H,9H2,1-2H3
InChIKeySQXMUBJQJNNWDK-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(3-methoxy-4-methylphenyl)ethyl]-3-methylpyridine
CID 66453543
2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
CID 79755596
2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
CID 66453767
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-[2-bromo-2-(3-chloro-4-iodophenyl)ethyl]-3-methylpyridine
CID 103222629
2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
CID 66453117
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284823
1-(3,4-difluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446480
2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115828418
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66453124

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine (CID 81284243) is 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine is COc1cc(C(Br)Cc2ncccc2C)ccc1F.
What is the InChIKey of 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine?
The InChIKey is SQXMUBJQJNNWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-4-3-7-18-14(10)9-12(16)11-5-6-13(17)15(8-11)19-2/h3-8,12H,9H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine?
2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine has a molecular weight of 324.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 81284243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).