4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine

C12H12BrNOS — CID 81140592

IUPAC4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine
SMILESCOc1ccsc1C(Br)Cc1ccncc1
InChIInChI=1S/C12H12BrNOS/c1-15-11-4-7-16-12(11)10(13)8-9-2-5-14-6-3-9/h2-7,10H,8H2,1H3
InChIKeyCLNLCZBQWGWVLL-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.83
Rot. Bonds4

About 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine

4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine (PubChem CID 81140592) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine
PubChem CID81140592
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine
SMILESCOc1ccsc1C(Br)Cc1ccncc1
InChIInChI=1S/C12H12BrNOS/c1-15-11-4-7-16-12(11)10(13)8-9-2-5-14-6-3-9/h2-7,10H,8H2,1H3
InChIKeyCLNLCZBQWGWVLL-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine
CID 81140116
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-3-methoxythiophene
CID 81129753
4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972
4-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66454195
4-[2-bromo-2-(4-methoxythiophen-2-yl)ethyl]pyridine
CID 81140591
2-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]-1,3-benzothiazole
CID 81139257
1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832109
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
[2-(4-iodophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105310401
4-[2-(3-bromothiophen-2-yl)-2-chloroethyl]pyridine
CID 66460593
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 83068073
[2-(3-chloro-4-pyridinyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105314849

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine (CID 81140592) is 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine is COc1ccsc1C(Br)Cc1ccncc1.
What is the InChIKey of 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine?
The InChIKey is CLNLCZBQWGWVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-15-11-4-7-16-12(11)10(13)8-9-2-5-14-6-3-9/h2-7,10H,8H2,1H3.
What are the key properties of 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine?
4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine has a molecular weight of 298.21 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine is sourced from PubChem (CID 81140592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).