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

C8H7BrINO2 — CID 176789398

IUPAC3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine
SMILESBrc1cc(C2OCCO2)cnc1I
InChIInChI=1S/C8H7BrINO2/c9-6-3-5(4-11-7(6)10)8-12-1-2-13-8/h3-4,8H,1-2H2
InChIKeyJJNVSQACYHIYHG-UHFFFAOYSA-N
MW355.96 g/mol
LogP2.49
Rot. Bonds1

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

3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine (PubChem CID 176789398) has the molecular formula C8H7BrINO2 and a molecular weight of 355.96 g/mol. Its IUPAC name is 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine.

Molecular Properties

Compound Name3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine
PubChem CID176789398
Molecular FormulaC8H7BrINO2
Molecular Weight355.96 g/mol
Exact Mass354.87
IUPAC Name3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine
SMILESBrc1cc(C2OCCO2)cnc1I
InChIInChI=1S/C8H7BrINO2/c9-6-3-5(4-11-7(6)10)8-12-1-2-13-8/h3-4,8H,1-2H2
InChIKeyJJNVSQACYHIYHG-UHFFFAOYSA-N
XLogP2.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.96
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine?
The IUPAC name of 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine (CID 176789398) is 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine.
What is the SMILES notation for 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine?
The canonical SMILES for 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine is Brc1cc(C2OCCO2)cnc1I.
What is the InChIKey of 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine?
The InChIKey is JJNVSQACYHIYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrINO2/c9-6-3-5(4-11-7(6)10)8-12-1-2-13-8/h3-4,8H,1-2H2.
What are the key properties of 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine?
3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine has a molecular weight of 355.96 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1,3-dioxolan-2-yl)-2-iodopyridine is sourced from PubChem (CID 176789398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).