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

C12H11Br2NS — CID 79996962

IUPAC2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
SMILESCc1cc(C(Br)Cc2ccccn2)sc1Br
InChIInChI=1S/C12H11Br2NS/c1-8-6-11(16-12(8)14)10(13)7-9-4-2-3-5-15-9/h2-6,10H,7H2,1H3
InChIKeyNUWQQGUBAPPRBM-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.89
Rot. Bonds3

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

2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine (PubChem CID 79996962) has the molecular formula C12H11Br2NS and a molecular weight of 361.10 g/mol. Its IUPAC name is 2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
PubChem CID79996962
Molecular FormulaC12H11Br2NS
Molecular Weight361.10 g/mol
Exact Mass358.90
IUPAC Name2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
SMILESCc1cc(C(Br)Cc2ccccn2)sc1Br
InChIInChI=1S/C12H11Br2NS/c1-8-6-11(16-12(8)14)10(13)7-9-4-2-3-5-15-9/h2-6,10H,7H2,1H3
InChIKeyNUWQQGUBAPPRBM-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.89
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-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2-[2-bromo-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]pyridine
CID 66454392
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
CID 79819392
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
2-[2-bromo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]pyridine
CID 66454396
1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 65239417
1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
CID 79989868
2-bromo-5-[1-bromo-2-(3-methoxyphenyl)ethyl]-3-methylthiophene
CID 79996690
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
CID 107958138
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine (CID 79996962) is 2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine is Cc1cc(C(Br)Cc2ccccn2)sc1Br.
What is the InChIKey of 2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine?
The InChIKey is NUWQQGUBAPPRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NS/c1-8-6-11(16-12(8)14)10(13)7-9-4-2-3-5-15-9/h2-6,10H,7H2,1H3.
What are the key properties of 2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine?
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine has a molecular weight of 361.10 g/mol, XLogP of 4.89, 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-bromo-4-methylthiophen-2-yl)ethyl]pyridine is sourced from PubChem (CID 79996962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).