2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine

C12H10Br3NS — CID 80538075

IUPAC2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br3NS/c1-7-3-2-4-16-10(7)5-8(13)11-6-9(14)12(15)17-11/h2-4,6,8H,5H2,1H3
InChIKeyVUYNFOHUWQRPBH-UHFFFAOYSA-N
MW440.00 g/mol
LogP5.66
Rot. Bonds3

About 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine

2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine (PubChem CID 80538075) has the molecular formula C12H10Br3NS and a molecular weight of 440.00 g/mol. Its IUPAC name is 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
PubChem CID80538075
Molecular FormulaC12H10Br3NS
Molecular Weight440.00 g/mol
Exact Mass436.81
IUPAC Name2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H10Br3NS/c1-7-3-2-4-16-10(7)5-8(13)11-6-9(14)12(15)17-11/h2-4,6,8H,5H2,1H3
InChIKeyVUYNFOHUWQRPBH-UHFFFAOYSA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.00
LogP ≤ 55.66
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-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine
CID 114026722
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962
4-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538074
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66453124
1-(4,5-dibromothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102835716
1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66449000
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
CID 66453767
2-[2-bromo-2-(3-methoxy-4-methylphenyl)ethyl]-3-methylpyridine
CID 66453543
2,3-dibromo-5-[1-bromo-2-(4-bromophenyl)ethyl]thiophene
CID 80534268
2-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine (CID 80538075) is 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine?
The InChIKey is VUYNFOHUWQRPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3NS/c1-7-3-2-4-16-10(7)5-8(13)11-6-9(14)12(15)17-11/h2-4,6,8H,5H2,1H3.
What are the key properties of 2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine?
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine has a molecular weight of 440.00 g/mol, XLogP of 5.66, 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-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine is sourced from PubChem (CID 80538075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).