2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol

C8H9NO2S — CID 67424827

IUPAC2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol
SMILESOCc1cc2c(cn1)OCCS2
InChIInChI=1S/C8H9NO2S/c10-5-6-3-8-7(4-9-6)11-1-2-12-8/h3-4,10H,1-2,5H2
InChIKeyMLWMVTSIHUDRLQ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.06
Rot. Bonds1

About 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol

2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol (PubChem CID 67424827) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol
PubChem CID67424827
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol
SMILESOCc1cc2c(cn1)OCCS2
InChIInChI=1S/C8H9NO2S/c10-5-6-3-8-7(4-9-6)11-1-2-12-8/h3-4,10H,1-2,5H2
InChIKeyMLWMVTSIHUDRLQ-UHFFFAOYSA-N
XLogP1.06
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(2,2,2-Trifluoroethoxy)pyridin-2-yl)methanol
CID 66893281
[5-(2-Fluoroethoxy)pyridin-2-yl]methanol
CID 80695239
[5-(2-Fluoroethoxy)pyridin-2-yl]methanol hydrochloride
CID 138040711
3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethanol
CID 22313361
3,4-Dihydro-2H-pyrano[3,2-b]pyridin-4-ol
CID 45082932
[5-(2-Ethylsulfanylethoxy)-2-pyridinyl]methanol
CID 75448192
(2R,3R,4S,5S)-2-[6-(trifluoromethyl)pyridin-3-yl]oxythiane-3,4,5-triol
CID 11209122
{5-[(5,5,5-Trifluoropentyl)oxy]pyridin-2-yl}methanol
CID 23335292
(2S,3R,4S,5S)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]thiane-3,4,5-triol
CID 67233394
[5-(1,2,2-Trifluoroethoxy)-2-pyridinyl]methanol
CID 68825277
7-(6-Fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
CID 91468970
[5-[2-(2-Fluoroethoxy)ethoxy]-2-pyridinyl]methanol
CID 122423801

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol?
The IUPAC name of 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol (CID 67424827) is 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol.
What is the SMILES notation for 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol?
The canonical SMILES for 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol is OCc1cc2c(cn1)OCCS2.
What is the InChIKey of 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol?
The InChIKey is MLWMVTSIHUDRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-5-6-3-8-7(4-9-6)11-1-2-12-8/h3-4,10H,1-2,5H2.
What are the key properties of 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol?
2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol has a molecular weight of 183.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethanol is sourced from PubChem (CID 67424827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).