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

C12H16BrNO3 — CID 118948736

IUPAC[3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol
SMILESCCOc1ncc(Br)cc1C1(CO)CCOC1
InChIInChI=1S/C12H16BrNO3/c1-2-17-11-10(5-9(13)6-14-11)12(7-15)3-4-16-8-12/h5-6,15H,2-4,7-8H2,1H3
InChIKeyCAINFOHANYPORI-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.89
Rot. Bonds4

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

[3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol (PubChem CID 118948736) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol
PubChem CID118948736
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name[3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol
SMILESCCOc1ncc(Br)cc1C1(CO)CCOC1
InChIInChI=1S/C12H16BrNO3/c1-2-17-11-10(5-9(13)6-14-11)12(7-15)3-4-16-8-12/h5-6,15H,2-4,7-8H2,1H3
InChIKeyCAINFOHANYPORI-UHFFFAOYSA-N
XLogP1.89
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol?
The IUPAC name of [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol (CID 118948736) is [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol?
The canonical SMILES for [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol is CCOc1ncc(Br)cc1C1(CO)CCOC1.
What is the InChIKey of [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol?
The InChIKey is CAINFOHANYPORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-2-17-11-10(5-9(13)6-14-11)12(7-15)3-4-16-8-12/h5-6,15H,2-4,7-8H2,1H3.
What are the key properties of [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol?
[3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol has a molecular weight of 302.17 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-2-ethoxy-3-pyridinyl)oxolan-3-yl]methanol is sourced from PubChem (CID 118948736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).