2-(3-bromoprop-1-enyl)-3,5-dichloropyridine

C8H6BrCl2N — CID 169475227

IUPAC2-(3-bromoprop-1-enyl)-3,5-dichloropyridine
SMILESClc1cnc(C=CCBr)c(Cl)c1
InChIInChI=1S/C8H6BrCl2N/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3H2
InChIKeyGQSNRYXUIXQOCK-UHFFFAOYSA-N
MW266.95 g/mol
LogP3.80
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine

2-(3-bromoprop-1-enyl)-3,5-dichloropyridine (PubChem CID 169475227) has the molecular formula C8H6BrCl2N and a molecular weight of 266.95 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-3,5-dichloropyridine
PubChem CID169475227
Molecular FormulaC8H6BrCl2N
Molecular Weight266.95 g/mol
Exact Mass264.91
IUPAC Name2-(3-bromoprop-1-enyl)-3,5-dichloropyridine
SMILESClc1cnc(C=CCBr)c(Cl)c1
InChIInChI=1S/C8H6BrCl2N/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3H2
InChIKeyGQSNRYXUIXQOCK-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.95
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine?
The IUPAC name of 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine (CID 169475227) is 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine is Clc1cnc(C=CCBr)c(Cl)c1.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine?
The InChIKey is GQSNRYXUIXQOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2N/c9-3-1-2-8-7(11)4-6(10)5-12-8/h1-2,4-5H,3H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine?
2-(3-bromoprop-1-enyl)-3,5-dichloropyridine has a molecular weight of 266.95 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-3,5-dichloropyridine is sourced from PubChem (CID 169475227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).