3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol

C8H11NO2 — CID 69071972

IUPAC3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol
SMILESOC1CCC2NC=CC=C2O1
InChIInChI=1S/C8H11NO2/c10-8-4-3-6-7(11-8)2-1-5-9-6/h1-2,5-6,8-10H,3-4H2
InChIKeyDRZCYVFWHGSIRQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.48
Rot. Bonds

About 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol

3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol (PubChem CID 69071972) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol
PubChem CID69071972
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol
SMILESOC1CCC2NC=CC=C2O1
InChIInChI=1S/C8H11NO2/c10-8-4-3-6-7(11-8)2-1-5-9-6/h1-2,5-6,8-10H,3-4H2
InChIKeyDRZCYVFWHGSIRQ-UHFFFAOYSA-N
XLogP0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol (CID 69071972) is 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol is OC1CCC2NC=CC=C2O1.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol?
The InChIKey is DRZCYVFWHGSIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8-4-3-6-7(11-8)2-1-5-9-6/h1-2,5-6,8-10H,3-4H2.
What are the key properties of 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol?
3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol has a molecular weight of 153.18 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-2H-pyrano[3,2-b]pyridin-2-ol is sourced from PubChem (CID 69071972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).