5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine

C10H16BrNO — CID 130660290

IUPAC5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine
SMILESBrC1=CCCN(C2CCCOC2)C1
InChIInChI=1S/C10H16BrNO/c11-9-3-1-5-12(7-9)10-4-2-6-13-8-10/h3,10H,1-2,4-8H2
InChIKeyCTYUGLVKQXHXBD-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.15
Rot. Bonds1

About 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine

5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 130660290) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID130660290
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine
SMILESBrC1=CCCN(C2CCCOC2)C1
InChIInChI=1S/C10H16BrNO/c11-9-3-1-5-12(7-9)10-4-2-6-13-8-10/h3,10H,1-2,4-8H2
InChIKeyCTYUGLVKQXHXBD-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine (CID 130660290) is 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine is BrC1=CCCN(C2CCCOC2)C1.
What is the InChIKey of 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is CTYUGLVKQXHXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c11-9-3-1-5-12(7-9)10-4-2-6-13-8-10/h3,10H,1-2,4-8H2.
What are the key properties of 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine?
5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 246.15 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxan-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130660290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).