3-bromo-5-(1,4-dioxan-2-yl)pyridine

C9H10BrNO2 — CID 130067630

IUPAC3-bromo-5-(1,4-dioxan-2-yl)pyridine
SMILESBrc1cncc(C2COCCO2)c1
InChIInChI=1S/C9H10BrNO2/c10-8-3-7(4-11-5-8)9-6-12-1-2-13-9/h3-5,9H,1-2,6H2
InChIKeyURKUWBDZNQRQGZ-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.93
Rot. Bonds1

About 3-bromo-5-(1,4-dioxan-2-yl)pyridine

3-bromo-5-(1,4-dioxan-2-yl)pyridine (PubChem CID 130067630) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3-bromo-5-(1,4-dioxan-2-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(1,4-dioxan-2-yl)pyridine
PubChem CID130067630
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name3-bromo-5-(1,4-dioxan-2-yl)pyridine
SMILESBrc1cncc(C2COCCO2)c1
InChIInChI=1S/C9H10BrNO2/c10-8-3-7(4-11-5-8)9-6-12-1-2-13-9/h3-5,9H,1-2,6H2
InChIKeyURKUWBDZNQRQGZ-UHFFFAOYSA-N
XLogP1.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,4-dioxan-2-yl)pyridine?
The IUPAC name of 3-bromo-5-(1,4-dioxan-2-yl)pyridine (CID 130067630) is 3-bromo-5-(1,4-dioxan-2-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(1,4-dioxan-2-yl)pyridine?
The canonical SMILES for 3-bromo-5-(1,4-dioxan-2-yl)pyridine is Brc1cncc(C2COCCO2)c1.
What is the InChIKey of 3-bromo-5-(1,4-dioxan-2-yl)pyridine?
The InChIKey is URKUWBDZNQRQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-8-3-7(4-11-5-8)9-6-12-1-2-13-9/h3-5,9H,1-2,6H2.
What are the key properties of 3-bromo-5-(1,4-dioxan-2-yl)pyridine?
3-bromo-5-(1,4-dioxan-2-yl)pyridine has a molecular weight of 244.09 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1,4-dioxan-2-yl)pyridine is sourced from PubChem (CID 130067630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).