5-bromo-2-(1,3-dioxolan-2-yl)pyridine

C8H8BrNO2 — CID 44754838

IUPAC5-bromo-2-(1,3-dioxolan-2-yl)pyridine
SMILESBrc1ccc(C2OCCO2)nc1
InChIInChI=1S/C8H8BrNO2/c9-6-1-2-7(10-5-6)8-11-3-4-12-8/h1-2,5,8H,3-4H2
InChIKeyVYCADPDVDFTZFI-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.89
Rot. Bonds1

About 5-bromo-2-(1,3-dioxolan-2-yl)pyridine

5-bromo-2-(1,3-dioxolan-2-yl)pyridine (PubChem CID 44754838) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 5-bromo-2-(1,3-dioxolan-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1,3-dioxolan-2-yl)pyridine
PubChem CID44754838
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name5-bromo-2-(1,3-dioxolan-2-yl)pyridine
SMILESBrc1ccc(C2OCCO2)nc1
InChIInChI=1S/C8H8BrNO2/c9-6-1-2-7(10-5-6)8-11-3-4-12-8/h1-2,5,8H,3-4H2
InChIKeyVYCADPDVDFTZFI-UHFFFAOYSA-N
XLogP1.89
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(1,3-dioxolan-2-yl)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-2-(1,3-dioxolan-2-yl)pyridine?
The IUPAC name of 5-bromo-2-(1,3-dioxolan-2-yl)pyridine (CID 44754838) is 5-bromo-2-(1,3-dioxolan-2-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(1,3-dioxolan-2-yl)pyridine?
The canonical SMILES for 5-bromo-2-(1,3-dioxolan-2-yl)pyridine is Brc1ccc(C2OCCO2)nc1.
What is the InChIKey of 5-bromo-2-(1,3-dioxolan-2-yl)pyridine?
The InChIKey is VYCADPDVDFTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-6-1-2-7(10-5-6)8-11-3-4-12-8/h1-2,5,8H,3-4H2.
What are the key properties of 5-bromo-2-(1,3-dioxolan-2-yl)pyridine?
5-bromo-2-(1,3-dioxolan-2-yl)pyridine has a molecular weight of 230.06 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,3-dioxolan-2-yl)pyridine is sourced from PubChem (CID 44754838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).