2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine

C13H18BrNO — CID 66455508

IUPAC2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)C1CCCOC1
InChIInChI=1S/C13H18BrNO/c1-10(12-6-2-3-7-15-12)13(14)11-5-4-8-16-9-11/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3
InChIKeyZLKRCWNVXXRNNC-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.38
Rot. Bonds3

About 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine

2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine (PubChem CID 66455508) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine
PubChem CID66455508
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)C1CCCOC1
InChIInChI=1S/C13H18BrNO/c1-10(12-6-2-3-7-15-12)13(14)11-5-4-8-16-9-11/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3
InChIKeyZLKRCWNVXXRNNC-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(oxolan-3-yl)-2-pyridin-2-ylpropan-1-amine
CID 66446614
2-[1-chloro-1-(oxolan-3-yl)propan-2-yl]pyridine
CID 66460210
2-[3-bromo-4-(oxolan-2-yl)butan-2-yl]pyridine
CID 66453344
1-cyclopentyl-2-pyridin-2-ylpropan-1-amine
CID 66448564
1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine
CID 66448560
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
1-cyclooctyl-2-pyridin-2-ylpropan-1-amine
CID 66448173
1-(oxolan-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 66459307
2-[1-(oxan-4-yl)ethyl]pyridine
CID 171432124
2-(1-bromo-2-pyridin-2-ylpropyl)thiane 1,1-dioxide
CID 104522968
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
[1-(oxan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105229826

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine (CID 66455508) is 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine is CC(c1ccccn1)C(Br)C1CCCOC1.
What is the InChIKey of 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine?
The InChIKey is ZLKRCWNVXXRNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(12-6-2-3-7-15-12)13(14)11-5-4-8-16-9-11/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3.
What are the key properties of 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine?
2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine has a molecular weight of 284.20 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine is sourced from PubChem (CID 66455508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).