5-bromo-2-(3-bromoprop-1-enyl)pyridine

C8H7Br2N — CID 169476449

IUPAC5-bromo-2-(3-bromoprop-1-enyl)pyridine
SMILESBrCC=Cc1ccc(Br)cn1
InChIInChI=1S/C8H7Br2N/c9-5-1-2-8-4-3-7(10)6-11-8/h1-4,6H,5H2
InChIKeySUAOGZAXOCQSSB-UHFFFAOYSA-N
MW276.96 g/mol
LogP3.25
Rot. Bonds2

About 5-bromo-2-(3-bromoprop-1-enyl)pyridine

5-bromo-2-(3-bromoprop-1-enyl)pyridine (PubChem CID 169476449) has the molecular formula C8H7Br2N and a molecular weight of 276.96 g/mol. Its IUPAC name is 5-bromo-2-(3-bromoprop-1-enyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-bromoprop-1-enyl)pyridine
PubChem CID169476449
Molecular FormulaC8H7Br2N
Molecular Weight276.96 g/mol
Exact Mass274.89
IUPAC Name5-bromo-2-(3-bromoprop-1-enyl)pyridine
SMILESBrCC=Cc1ccc(Br)cn1
InChIInChI=1S/C8H7Br2N/c9-5-1-2-8-4-3-7(10)6-11-8/h1-4,6H,5H2
InChIKeySUAOGZAXOCQSSB-UHFFFAOYSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.96
LogP ≤ 53.25
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

6-(3-bromoprop-1-enyl)pyridin-3-amine
CID 169474974
methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate
CID 142133740
[(Z)-2-(5-bromo-2-pyridinyl)ethenyl]-trimethylsilane
CID 131859880
2-bromo-5-(3-bromoprop-1-enyl)pyridine
CID 169476448
(1E,3E)-4-(5-bromo-2-pyridinyl)-N,N-diethylbuta-1,3-dien-1-amine
CID 12828939
(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
CID 134562646
2-(azetidin-3-ylidenemethyl)-5-bromopyridine
CID 104813673
3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one
CID 169474976
4-[(E)-3-bromoprop-1-enyl]-2-methylpyrimidine
CID 115530171
2,5-dibromopyridine;ethane
CID 90871570
6-(3-bromoprop-1-enyl)-2-chloropyridin-3-amine
CID 169475126
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromoprop-1-enyl)pyridine?
The IUPAC name of 5-bromo-2-(3-bromoprop-1-enyl)pyridine (CID 169476449) is 5-bromo-2-(3-bromoprop-1-enyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-bromoprop-1-enyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-bromoprop-1-enyl)pyridine is BrCC=Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(3-bromoprop-1-enyl)pyridine?
The InChIKey is SUAOGZAXOCQSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N/c9-5-1-2-8-4-3-7(10)6-11-8/h1-4,6H,5H2.
What are the key properties of 5-bromo-2-(3-bromoprop-1-enyl)pyridine?
5-bromo-2-(3-bromoprop-1-enyl)pyridine has a molecular weight of 276.96 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromoprop-1-enyl)pyridine is sourced from PubChem (CID 169476449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).