5-bromo-1-prop-2-enyl-2H-pyridine

C8H10BrN — CID 70448713

IUPAC5-bromo-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1C=C(Br)C=CC1
InChIInChI=1S/C8H10BrN/c1-2-5-10-6-3-4-8(9)7-10/h2-4,7H,1,5-6H2
InChIKeyHLMOHJPXRYFBQG-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.28
Rot. Bonds2

About 5-bromo-1-prop-2-enyl-2H-pyridine

5-bromo-1-prop-2-enyl-2H-pyridine (PubChem CID 70448713) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 5-bromo-1-prop-2-enyl-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-prop-2-enyl-2H-pyridine
PubChem CID70448713
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name5-bromo-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1C=C(Br)C=CC1
InChIInChI=1S/C8H10BrN/c1-2-5-10-6-3-4-8(9)7-10/h2-4,7H,1,5-6H2
InChIKeyHLMOHJPXRYFBQG-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-1-prop-2-enyl-2H-pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-prop-2-enyl-2H-pyridine?
The IUPAC name of 5-bromo-1-prop-2-enyl-2H-pyridine (CID 70448713) is 5-bromo-1-prop-2-enyl-2H-pyridine.
What is the SMILES notation for 5-bromo-1-prop-2-enyl-2H-pyridine?
The canonical SMILES for 5-bromo-1-prop-2-enyl-2H-pyridine is C=CCN1C=C(Br)C=CC1.
What is the InChIKey of 5-bromo-1-prop-2-enyl-2H-pyridine?
The InChIKey is HLMOHJPXRYFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-2-5-10-6-3-4-8(9)7-10/h2-4,7H,1,5-6H2.
What are the key properties of 5-bromo-1-prop-2-enyl-2H-pyridine?
5-bromo-1-prop-2-enyl-2H-pyridine has a molecular weight of 200.08 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-prop-2-enyl-2H-pyridine is sourced from PubChem (CID 70448713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).