2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine

C12H11BrINS — CID 79690130

IUPAC2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2csc(I)c2)nc1
InChIInChI=1S/C12H11BrINS/c1-8-2-3-10(15-6-8)5-11(13)9-4-12(14)16-7-9/h2-4,6-7,11H,5H2,1H3
InChIKeyCNMXZELSLMUTRM-UHFFFAOYSA-N
MW408.10 g/mol
LogP4.73
Rot. Bonds3

About 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine

2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine (PubChem CID 79690130) has the molecular formula C12H11BrINS and a molecular weight of 408.10 g/mol. Its IUPAC name is 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine
PubChem CID79690130
Molecular FormulaC12H11BrINS
Molecular Weight408.10 g/mol
Exact Mass406.88
IUPAC Name2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)c2csc(I)c2)nc1
InChIInChI=1S/C12H11BrINS/c1-8-2-3-10(15-6-8)5-11(13)9-4-12(14)16-7-9/h2-4,6-7,11H,5H2,1H3
InChIKeyCNMXZELSLMUTRM-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.10
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(3-iodophenyl)ethyl]-5-methylpyridine
CID 66454437
2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66455303
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
CID 66455091
4-(1-bromo-2-phenylethyl)-2-iodothiophene
CID 79692130
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-5-methylpyridine
CID 80641674
2-[2-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-5-methylpyridine
CID 66455523
2-[2-bromo-2-(3-bromo-4-chlorophenyl)ethyl]-5-methylpyridine
CID 107995683
4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-iodothiophene
CID 79691582
4-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-iodothiophene
CID 79691202
1-(5-bromothiophen-3-yl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107963062

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine (CID 79690130) is 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine is Cc1ccc(CC(Br)c2csc(I)c2)nc1.
What is the InChIKey of 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine?
The InChIKey is CNMXZELSLMUTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrINS/c1-8-2-3-10(15-6-8)5-11(13)9-4-12(14)16-7-9/h2-4,6-7,11H,5H2,1H3.
What are the key properties of 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine?
2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine has a molecular weight of 408.10 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine is sourced from PubChem (CID 79690130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).