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

C12H12BrNS — CID 79819392

IUPAC2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
SMILESCc1cscc1C(Br)Cc1ccccn1
InChIInChI=1S/C12H12BrNS/c1-9-7-15-8-11(9)12(13)6-10-4-2-3-5-14-10/h2-5,7-8,12H,6H2,1H3
InChIKeyVAYLGNDRNUMSBD-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.13
Rot. Bonds3

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

2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine (PubChem CID 79819392) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
PubChem CID79819392
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
SMILESCc1cscc1C(Br)Cc1ccccn1
InChIInChI=1S/C12H12BrNS/c1-9-7-15-8-11(9)12(13)6-10-4-2-3-5-14-10/h2-5,7-8,12H,6H2,1H3
InChIKeyVAYLGNDRNUMSBD-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.13
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-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
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2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
CID 66454612
3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924
3-[1-bromo-2-(2-nitrophenyl)ethyl]-4-methylthiophene
CID 79807630
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
1-(2-methylphenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66099254
N-ethyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60819742
2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine
CID 79084149
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine (CID 79819392) is 2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine is Cc1cscc1C(Br)Cc1ccccn1.
What is the InChIKey of 2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine?
The InChIKey is VAYLGNDRNUMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-9-7-15-8-11(9)12(13)6-10-4-2-3-5-14-10/h2-5,7-8,12H,6H2,1H3.
What are the key properties of 2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine?
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine has a molecular weight of 282.21 g/mol, XLogP of 4.13, 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-(4-methylthiophen-3-yl)ethyl]pyridine is sourced from PubChem (CID 79819392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).