5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine

C10H13BrN2O — CID 130815994

IUPAC5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine
SMILESCCOC1CN(c2ccc(Br)cn2)C1
InChIInChI=1S/C10H13BrN2O/c1-2-14-9-6-13(7-9)10-4-3-8(11)5-12-10/h3-5,9H,2,6-7H2,1H3
InChIKeyVZLCYUMLEFRLEA-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.07
Rot. Bonds3

About 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine

5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine (PubChem CID 130815994) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine
PubChem CID130815994
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine
SMILESCCOC1CN(c2ccc(Br)cn2)C1
InChIInChI=1S/C10H13BrN2O/c1-2-14-9-6-13(7-9)10-4-3-8(11)5-12-10/h3-5,9H,2,6-7H2,1H3
InChIKeyVZLCYUMLEFRLEA-UHFFFAOYSA-N
XLogP2.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine?
The IUPAC name of 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine (CID 130815994) is 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine is CCOC1CN(c2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine?
The InChIKey is VZLCYUMLEFRLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-14-9-6-13(7-9)10-4-3-8(11)5-12-10/h3-5,9H,2,6-7H2,1H3.
What are the key properties of 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine?
5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine has a molecular weight of 257.13 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine is sourced from PubChem (CID 130815994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).