[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol

C10H12BrNO3 — CID 63558075

IUPAC[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1OC1CCOC1
InChIInChI=1S/C10H12BrNO3/c11-8-3-7(5-13)10(12-4-8)15-9-1-2-14-6-9/h3-4,9,13H,1-2,5-6H2
InChIKeySPTDUGYCLBCFQG-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.50
Rot. Bonds3

About [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol

[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol (PubChem CID 63558075) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol
PubChem CID63558075
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1OC1CCOC1
InChIInChI=1S/C10H12BrNO3/c11-8-3-7(5-13)10(12-4-8)15-9-1-2-14-6-9/h3-4,9,13H,1-2,5-6H2
InChIKeySPTDUGYCLBCFQG-UHFFFAOYSA-N
XLogP1.50
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol (CID 63558075) is [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol is OCc1cc(Br)cnc1OC1CCOC1.
What is the InChIKey of [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol?
The InChIKey is SPTDUGYCLBCFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-8-3-7(5-13)10(12-4-8)15-9-1-2-14-6-9/h3-4,9,13H,1-2,5-6H2.
What are the key properties of [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol?
[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol has a molecular weight of 274.11 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol is sourced from PubChem (CID 63558075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).