2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine

C12H11BrClNS — CID 107967285

IUPAC2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2csc(Br)c2)nc1
InChIInChI=1S/C12H11BrClNS/c1-8-2-3-10(15-6-8)5-11(14)9-4-12(13)16-7-9/h2-4,6-7,11H,5H2,1H3
InChIKeyZQYDZNPHKCAHLN-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.74
Rot. Bonds3

About 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine

2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine (PubChem CID 107967285) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
PubChem CID107967285
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2csc(Br)c2)nc1
InChIInChI=1S/C12H11BrClNS/c1-8-2-3-10(15-6-8)5-11(14)9-4-12(13)16-7-9/h2-4,6-7,11H,5H2,1H3
InChIKeyZQYDZNPHKCAHLN-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 54.74
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

1-(5-bromothiophen-3-yl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107963062
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
CID 81325148
2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
CID 66460220
2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
CID 66461822
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
CID 114376362
2-[2-bromo-2-(5-iodothiophen-3-yl)ethyl]-5-methylpyridine
CID 79690130
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
CID 81285132
2-bromo-4-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 107965739
2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66461226
1-(3,5-dibromophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 107980663
2-[2-bromo-2-(3-chlorothiophen-2-yl)ethyl]-5-methylpyridine
CID 80641674
1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114021943

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine?
The IUPAC name of 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine (CID 107967285) is 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine is Cc1ccc(CC(Cl)c2csc(Br)c2)nc1.
What is the InChIKey of 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine?
The InChIKey is ZQYDZNPHKCAHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c1-8-2-3-10(15-6-8)5-11(14)9-4-12(13)16-7-9/h2-4,6-7,11H,5H2,1H3.
What are the key properties of 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine?
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine has a molecular weight of 316.65 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine is sourced from PubChem (CID 107967285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).