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

C8H6BrNO2 — CID 141192691

IUPAC5-bromo-2-(1,3-dioxol-2-yl)pyridine
SMILESBrc1ccc(C2OC=CO2)nc1
InChIInChI=1S/C8H6BrNO2/c9-6-1-2-7(10-5-6)8-11-3-4-12-8/h1-5,8H
InChIKeyULYMTPTXRRQCJD-UHFFFAOYSA-N
MW228.05 g/mol
LogP2.36
Rot. Bonds1

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

5-bromo-2-(1,3-dioxol-2-yl)pyridine (PubChem CID 141192691) has the molecular formula C8H6BrNO2 and a molecular weight of 228.05 g/mol. Its IUPAC name is 5-bromo-2-(1,3-dioxol-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1,3-dioxol-2-yl)pyridine
PubChem CID141192691
Molecular FormulaC8H6BrNO2
Molecular Weight228.05 g/mol
Exact Mass226.96
IUPAC Name5-bromo-2-(1,3-dioxol-2-yl)pyridine
SMILESBrc1ccc(C2OC=CO2)nc1
InChIInChI=1S/C8H6BrNO2/c9-6-1-2-7(10-5-6)8-11-3-4-12-8/h1-5,8H
InChIKeyULYMTPTXRRQCJD-UHFFFAOYSA-N
XLogP2.36
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,3-dioxol-2-yl)pyridine?
The IUPAC name of 5-bromo-2-(1,3-dioxol-2-yl)pyridine (CID 141192691) is 5-bromo-2-(1,3-dioxol-2-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(1,3-dioxol-2-yl)pyridine?
The canonical SMILES for 5-bromo-2-(1,3-dioxol-2-yl)pyridine is Brc1ccc(C2OC=CO2)nc1.
What is the InChIKey of 5-bromo-2-(1,3-dioxol-2-yl)pyridine?
The InChIKey is ULYMTPTXRRQCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-6-1-2-7(10-5-6)8-11-3-4-12-8/h1-5,8H.
What are the key properties of 5-bromo-2-(1,3-dioxol-2-yl)pyridine?
5-bromo-2-(1,3-dioxol-2-yl)pyridine has a molecular weight of 228.05 g/mol, XLogP of 2.36, 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-dioxol-2-yl)pyridine is sourced from PubChem (CID 141192691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).