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

C8H7Br2N — CID 169476448

IUPAC2-bromo-5-(3-bromoprop-1-enyl)pyridine
SMILESBrCC=Cc1ccc(Br)nc1
InChIInChI=1S/C8H7Br2N/c9-5-1-2-7-3-4-8(10)11-6-7/h1-4,6H,5H2
InChIKeyPCDHYYGIGOEOAK-UHFFFAOYSA-N
MW276.96 g/mol
LogP3.25
Rot. Bonds2

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

2-bromo-5-(3-bromoprop-1-enyl)pyridine (PubChem CID 169476448) has the molecular formula C8H7Br2N and a molecular weight of 276.96 g/mol. Its IUPAC name is 2-bromo-5-(3-bromoprop-1-enyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(3-bromoprop-1-enyl)pyridine
PubChem CID169476448
Molecular FormulaC8H7Br2N
Molecular Weight276.96 g/mol
Exact Mass274.89
IUPAC Name2-bromo-5-(3-bromoprop-1-enyl)pyridine
SMILESBrCC=Cc1ccc(Br)nc1
InChIInChI=1S/C8H7Br2N/c9-5-1-2-7-3-4-8(10)11-6-7/h1-4,6H,5H2
InChIKeyPCDHYYGIGOEOAK-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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

5-(3-bromoprop-1-enyl)-2-fluoropyridine
CID 169474982
5-(3-bromoprop-1-enyl)-2-methylpyrimidine
CID 169474962
5-bromo-2-(3-bromoprop-1-enyl)pyridine
CID 169476449
2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine
CID 169476766
1-bromo-4-[(E)-3-bromoprop-1-enyl]-2-fluorobenzene
CID 81440266
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
5-(4-bromobut-1-enyl)-2-methylpyridine
CID 79603355
2,5-dibromopyridine;ethane
CID 90871570
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
3-(3-bromoprop-1-enyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 169475031
6-(3-bromoprop-1-enyl)pyridin-3-amine
CID 169474974
2-[4-(3-bromoprop-1-enyl)phenyl]acetonitrile
CID 169475513

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-bromoprop-1-enyl)pyridine?
The IUPAC name of 2-bromo-5-(3-bromoprop-1-enyl)pyridine (CID 169476448) is 2-bromo-5-(3-bromoprop-1-enyl)pyridine.
What is the SMILES notation for 2-bromo-5-(3-bromoprop-1-enyl)pyridine?
The canonical SMILES for 2-bromo-5-(3-bromoprop-1-enyl)pyridine is BrCC=Cc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(3-bromoprop-1-enyl)pyridine?
The InChIKey is PCDHYYGIGOEOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N/c9-5-1-2-7-3-4-8(10)11-6-7/h1-4,6H,5H2.
What are the key properties of 2-bromo-5-(3-bromoprop-1-enyl)pyridine?
2-bromo-5-(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 2-bromo-5-(3-bromoprop-1-enyl)pyridine is sourced from PubChem (CID 169476448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).