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

C10H12BrNO — CID 130132081

IUPAC2-bromo-4-(oxan-2-yl)pyridine
SMILESBrc1cc(C2CCCCO2)ccn1
InChIInChI=1S/C10H12BrNO/c11-10-7-8(4-5-12-10)9-3-1-2-6-13-9/h4-5,7,9H,1-3,6H2
InChIKeyXQCKMYOCKSNNSO-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.09
Rot. Bonds1

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

2-bromo-4-(oxan-2-yl)pyridine (PubChem CID 130132081) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-4-(oxan-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(oxan-2-yl)pyridine
PubChem CID130132081
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-4-(oxan-2-yl)pyridine
SMILESBrc1cc(C2CCCCO2)ccn1
InChIInChI=1S/C10H12BrNO/c11-10-7-8(4-5-12-10)9-3-1-2-6-13-9/h4-5,7,9H,1-3,6H2
InChIKeyXQCKMYOCKSNNSO-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-bromo-4-(oxan-2-yl)pyridine?
The IUPAC name of 2-bromo-4-(oxan-2-yl)pyridine (CID 130132081) is 2-bromo-4-(oxan-2-yl)pyridine.
What is the SMILES notation for 2-bromo-4-(oxan-2-yl)pyridine?
The canonical SMILES for 2-bromo-4-(oxan-2-yl)pyridine is Brc1cc(C2CCCCO2)ccn1.
What is the InChIKey of 2-bromo-4-(oxan-2-yl)pyridine?
The InChIKey is XQCKMYOCKSNNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-10-7-8(4-5-12-10)9-3-1-2-6-13-9/h4-5,7,9H,1-3,6H2.
What are the key properties of 2-bromo-4-(oxan-2-yl)pyridine?
2-bromo-4-(oxan-2-yl)pyridine has a molecular weight of 242.12 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(oxan-2-yl)pyridine is sourced from PubChem (CID 130132081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).