4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol

C12H17NO3 — CID 18953754

IUPAC4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol
SMILESOCCCC1C(O)COC1c1cccnc1
InChIInChI=1S/C12H17NO3/c14-6-2-4-10-11(15)8-16-12(10)9-3-1-5-13-7-9/h1,3,5,7,10-12,14-15H,2,4,6,8H2
InChIKeyYLNVBYAPYBFZOW-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.90
Rot. Bonds4

About 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol

4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol (PubChem CID 18953754) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol
PubChem CID18953754
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol
SMILESOCCCC1C(O)COC1c1cccnc1
InChIInChI=1S/C12H17NO3/c14-6-2-4-10-11(15)8-16-12(10)9-3-1-5-13-7-9/h1,3,5,7,10-12,14-15H,2,4,6,8H2
InChIKeyYLNVBYAPYBFZOW-UHFFFAOYSA-N
XLogP0.90
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyridin-3-ylpiperidin-1-yl)ethanol
CID 150777844
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
2-(aminomethyl)-3-pyridin-3-ylcyclopentan-1-ol
CID 176715587
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine
CID 82125758
7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
CID 67797765
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890
3-[(2R,3S)-3-ethenyloxiran-2-yl]pyridine
CID 93493915
7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
CID 57221466
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
3-[(1R,2R,5R,6S,9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]pyridine
CID 928921

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol?
The IUPAC name of 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol (CID 18953754) is 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol.
What is the SMILES notation for 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol?
The canonical SMILES for 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol is OCCCC1C(O)COC1c1cccnc1.
What is the InChIKey of 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol?
The InChIKey is YLNVBYAPYBFZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-6-2-4-10-11(15)8-16-12(10)9-3-1-5-13-7-9/h1,3,5,7,10-12,14-15H,2,4,6,8H2.
What are the key properties of 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol?
4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol has a molecular weight of 223.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol is sourced from PubChem (CID 18953754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).