3-bromo-2-(oxan-4-yl)pyridine

C10H12BrNO — CID 130058346

IUPAC3-bromo-2-(oxan-4-yl)pyridine
SMILESBrc1cccnc1C1CCOCC1
InChIInChI=1S/C10H12BrNO/c11-9-2-1-5-12-10(9)8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyJYTWVOBKOYIHED-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.74
Rot. Bonds1

About 3-bromo-2-(oxan-4-yl)pyridine

3-bromo-2-(oxan-4-yl)pyridine (PubChem CID 130058346) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-bromo-2-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(oxan-4-yl)pyridine
PubChem CID130058346
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-bromo-2-(oxan-4-yl)pyridine
SMILESBrc1cccnc1C1CCOCC1
InChIInChI=1S/C10H12BrNO/c11-9-2-1-5-12-10(9)8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2
InChIKeyJYTWVOBKOYIHED-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(oxan-4-yl)pyridine?
The IUPAC name of 3-bromo-2-(oxan-4-yl)pyridine (CID 130058346) is 3-bromo-2-(oxan-4-yl)pyridine.
What is the SMILES notation for 3-bromo-2-(oxan-4-yl)pyridine?
The canonical SMILES for 3-bromo-2-(oxan-4-yl)pyridine is Brc1cccnc1C1CCOCC1.
What is the InChIKey of 3-bromo-2-(oxan-4-yl)pyridine?
The InChIKey is JYTWVOBKOYIHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-2-1-5-12-10(9)8-3-6-13-7-4-8/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3-bromo-2-(oxan-4-yl)pyridine?
3-bromo-2-(oxan-4-yl)pyridine has a molecular weight of 242.12 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(oxan-4-yl)pyridine is sourced from PubChem (CID 130058346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).