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

C8H7BrFNO2 — CID 126576136

IUPAC5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
SMILESFc1ncc(Br)cc1C1OCCO1
InChIInChI=1S/C8H7BrFNO2/c9-5-3-6(7(10)11-4-5)8-12-1-2-13-8/h3-4,8H,1-2H2
InChIKeyRZDLEWCKOXQQLV-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.03
Rot. Bonds1

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

5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine (PubChem CID 126576136) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine.

Molecular Properties

Compound Name5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
PubChem CID126576136
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
SMILESFc1ncc(Br)cc1C1OCCO1
InChIInChI=1S/C8H7BrFNO2/c9-5-3-6(7(10)11-4-5)8-12-1-2-13-8/h3-4,8H,1-2H2
InChIKeyRZDLEWCKOXQQLV-UHFFFAOYSA-N
XLogP2.03
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.03
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 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine?
The IUPAC name of 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine (CID 126576136) is 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine.
What is the SMILES notation for 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine?
The canonical SMILES for 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine is Fc1ncc(Br)cc1C1OCCO1.
What is the InChIKey of 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine?
The InChIKey is RZDLEWCKOXQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c9-5-3-6(7(10)11-4-5)8-12-1-2-13-8/h3-4,8H,1-2H2.
What are the key properties of 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine?
5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine has a molecular weight of 248.05 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine is sourced from PubChem (CID 126576136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).