3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine

C13H11Br2N — CID 63018745

IUPAC3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
SMILESBrc1cccc(CC(Br)c2cccnc2)c1
InChIInChI=1S/C13H11Br2N/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1-7,9,13H,8H2
InChIKeySTFGXMSKXFPHJO-UHFFFAOYSA-N
MW341.05 g/mol
LogP4.52
Rot. Bonds3

About 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine

3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine (PubChem CID 63018745) has the molecular formula C13H11Br2N and a molecular weight of 341.05 g/mol. Its IUPAC name is 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
PubChem CID63018745
Molecular FormulaC13H11Br2N
Molecular Weight341.05 g/mol
Exact Mass338.93
IUPAC Name3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
SMILESBrc1cccc(CC(Br)c2cccnc2)c1
InChIInChI=1S/C13H11Br2N/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1-7,9,13H,8H2
InChIKeySTFGXMSKXFPHJO-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.05
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-bromo-2-(3-chlorophenyl)ethyl]pyridine
CID 63018759
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine
CID 82827586
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine
CID 57425763
4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
CID 115482941
2-(3-bromophenyl)-1-pyrazin-2-ylethanol
CID 60798703
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine?
The IUPAC name of 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine (CID 63018745) is 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine.
What is the SMILES notation for 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine?
The canonical SMILES for 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine is Brc1cccc(CC(Br)c2cccnc2)c1.
What is the InChIKey of 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine?
The InChIKey is STFGXMSKXFPHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1-7,9,13H,8H2.
What are the key properties of 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine?
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine has a molecular weight of 341.05 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine is sourced from PubChem (CID 63018745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).