4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine

C11H8Br3NS — CID 80538074

IUPAC4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
SMILESBrc1cc(C(Br)Cc2ccncc2)sc1Br
InChIInChI=1S/C11H8Br3NS/c12-8(5-7-1-3-15-4-2-7)10-6-9(13)11(14)16-10/h1-4,6,8H,5H2
InChIKeyGAMHPRMOMOUUAI-UHFFFAOYSA-N
MW425.97 g/mol
LogP5.35
Rot. Bonds3

About 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine

4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine (PubChem CID 80538074) has the molecular formula C11H8Br3NS and a molecular weight of 425.97 g/mol. Its IUPAC name is 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
PubChem CID80538074
Molecular FormulaC11H8Br3NS
Molecular Weight425.97 g/mol
Exact Mass422.79
IUPAC Name4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
SMILESBrc1cc(C(Br)Cc2ccncc2)sc1Br
InChIInChI=1S/C11H8Br3NS/c12-8(5-7-1-3-15-4-2-7)10-6-9(13)11(14)16-10/h1-4,6,8H,5H2
InChIKeyGAMHPRMOMOUUAI-UHFFFAOYSA-N
XLogP5.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.97
LogP ≤ 55.35
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

2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
CID 80534268
4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538308
2,3-dibromo-5-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 80534250
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
4-[2-bromo-2-(4-methoxythiophen-2-yl)ethyl]pyridine
CID 81140591
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
2,3-dibromo-5-[1-bromo-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534309
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine
CID 66455489

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine (CID 80538074) is 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine is Brc1cc(C(Br)Cc2ccncc2)sc1Br.
What is the InChIKey of 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine?
The InChIKey is GAMHPRMOMOUUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3NS/c12-8(5-7-1-3-15-4-2-7)10-6-9(13)11(14)16-10/h1-4,6,8H,5H2.
What are the key properties of 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine?
4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine has a molecular weight of 425.97 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine is sourced from PubChem (CID 80538074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).