2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol

C12H16BrNO2 — CID 115833496

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
SMILESCC1CCOC1C(O)Cc1cncc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8-2-3-16-12(8)11(15)5-9-4-10(13)7-14-6-9/h4,6-8,11-12,15H,2-3,5H2,1H3
InChIKeyHLOJJDFIQUAOQO-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.17
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol

2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol (PubChem CID 115833496) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
PubChem CID115833496
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
SMILESCC1CCOC1C(O)Cc1cncc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8-2-3-16-12(8)11(15)5-9-4-10(13)7-14-6-9/h4,6-8,11-12,15H,2-3,5H2,1H3
InChIKeyHLOJJDFIQUAOQO-UHFFFAOYSA-N
XLogP2.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol (CID 115833496) is 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol is CC1CCOC1C(O)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol?
The InChIKey is HLOJJDFIQUAOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-2-3-16-12(8)11(15)5-9-4-10(13)7-14-6-9/h4,6-8,11-12,15H,2-3,5H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol has a molecular weight of 286.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol is sourced from PubChem (CID 115833496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).