2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine

C16H18BrNO2 — CID 66453117

IUPAC2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
SMILESCOc1ccc(OC)c(C(Br)Cc2ncccc2C)c1
InChIInChI=1S/C16H18BrNO2/c1-11-5-4-8-18-15(11)10-14(17)13-9-12(19-2)6-7-16(13)20-3/h4-9,14H,10H2,1-3H3
InChIKeyBDJIAUCEGDXIAK-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.09
Rot. Bonds5

About 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine

2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine (PubChem CID 66453117) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
PubChem CID66453117
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
SMILESCOc1ccc(OC)c(C(Br)Cc2ncccc2C)c1
InChIInChI=1S/C16H18BrNO2/c1-11-5-4-8-18-15(11)10-14(17)13-9-12(19-2)6-7-16(13)20-3/h4-9,14H,10H2,1-3H3
InChIKeyBDJIAUCEGDXIAK-UHFFFAOYSA-N
XLogP4.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
(2,5-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62801655
2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
CID 81284243
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448627
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
[(2,5-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209313
2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine
CID 114026722
1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 115369502
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene
CID 63437142
2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
CID 79755596

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine (CID 66453117) is 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine is COc1ccc(OC)c(C(Br)Cc2ncccc2C)c1.
What is the InChIKey of 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine?
The InChIKey is BDJIAUCEGDXIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11-5-4-8-18-15(11)10-14(17)13-9-12(19-2)6-7-16(13)20-3/h4-9,14H,10H2,1-3H3.
What are the key properties of 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine?
2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine has a molecular weight of 336.23 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 66453117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).