2-bromo-4-(1,3-dioxolan-2-yl)pyridine

C8H8BrNO2 — CID 14696507

IUPAC2-bromo-4-(1,3-dioxolan-2-yl)pyridine
SMILESBrc1cc(C2OCCO2)ccn1
InChIInChI=1S/C8H8BrNO2/c9-7-5-6(1-2-10-7)8-11-3-4-12-8/h1-2,5,8H,3-4H2
InChIKeyOJLKBURHSSFUIL-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.89
Rot. Bonds1

About 2-bromo-4-(1,3-dioxolan-2-yl)pyridine

2-bromo-4-(1,3-dioxolan-2-yl)pyridine (PubChem CID 14696507) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-bromo-4-(1,3-dioxolan-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(1,3-dioxolan-2-yl)pyridine
PubChem CID14696507
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name2-bromo-4-(1,3-dioxolan-2-yl)pyridine
SMILESBrc1cc(C2OCCO2)ccn1
InChIInChI=1S/C8H8BrNO2/c9-7-5-6(1-2-10-7)8-11-3-4-12-8/h1-2,5,8H,3-4H2
InChIKeyOJLKBURHSSFUIL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1,3-dioxolan-2-yl)pyridine?
The IUPAC name of 2-bromo-4-(1,3-dioxolan-2-yl)pyridine (CID 14696507) is 2-bromo-4-(1,3-dioxolan-2-yl)pyridine.
What is the SMILES notation for 2-bromo-4-(1,3-dioxolan-2-yl)pyridine?
The canonical SMILES for 2-bromo-4-(1,3-dioxolan-2-yl)pyridine is Brc1cc(C2OCCO2)ccn1.
What is the InChIKey of 2-bromo-4-(1,3-dioxolan-2-yl)pyridine?
The InChIKey is OJLKBURHSSFUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-7-5-6(1-2-10-7)8-11-3-4-12-8/h1-2,5,8H,3-4H2.
What are the key properties of 2-bromo-4-(1,3-dioxolan-2-yl)pyridine?
2-bromo-4-(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 2-bromo-4-(1,3-dioxolan-2-yl)pyridine is sourced from PubChem (CID 14696507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).