2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine

C13H10Br3N — CID 107958138

IUPAC2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
SMILESBrc1ccc(C(Br)Cc2ccccn2)c(Br)c1
InChIInChI=1S/C13H10Br3N/c14-9-4-5-11(12(15)7-9)13(16)8-10-3-1-2-6-17-10/h1-7,13H,8H2
InChIKeySHMITUGLZLZVOM-UHFFFAOYSA-N
MW419.94 g/mol
LogP5.29
Rot. Bonds3

About 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine

2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine (PubChem CID 107958138) has the molecular formula C13H10Br3N and a molecular weight of 419.94 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
PubChem CID107958138
Molecular FormulaC13H10Br3N
Molecular Weight419.94 g/mol
Exact Mass416.84
IUPAC Name2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
SMILESBrc1ccc(C(Br)Cc2ccccn2)c(Br)c1
InChIInChI=1S/C13H10Br3N/c14-9-4-5-11(12(15)7-9)13(16)8-10-3-1-2-6-17-10/h1-7,13H,8H2
InChIKeySHMITUGLZLZVOM-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
CID 66454612
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2,4-dibromo-1-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 114020716
2,4-dibromo-1-[1-bromo-2-(2,6-difluorophenyl)ethyl]benzene
CID 107958068
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
CID 79819392
2-[(2,5-dibromophenyl)methyl]pyridine
CID 152592828
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962
2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
CID 66454388
2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
CID 66455045
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine (CID 107958138) is 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine is Brc1ccc(C(Br)Cc2ccccn2)c(Br)c1.
What is the InChIKey of 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine?
The InChIKey is SHMITUGLZLZVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3N/c14-9-4-5-11(12(15)7-9)13(16)8-10-3-1-2-6-17-10/h1-7,13H,8H2.
What are the key properties of 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine?
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine has a molecular weight of 419.94 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine is sourced from PubChem (CID 107958138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).