2H-pyrano[3,2-b]pyridin-6-ylmethanol

C9H9NO2 — CID 135256237

IUPAC2H-pyrano[3,2-b]pyridin-6-ylmethanol
SMILESOCc1ccc2c(n1)C=CCO2
InChIInChI=1S/C9H9NO2/c11-6-7-3-4-9-8(10-7)2-1-5-12-9/h1-4,11H,5-6H2
InChIKeyWUIVRVZTNGSOSW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.98
Rot. Bonds1

About 2H-pyrano[3,2-b]pyridin-6-ylmethanol

2H-pyrano[3,2-b]pyridin-6-ylmethanol (PubChem CID 135256237) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2H-pyrano[3,2-b]pyridin-6-ylmethanol.

Molecular Properties

Compound Name2H-pyrano[3,2-b]pyridin-6-ylmethanol
PubChem CID135256237
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2H-pyrano[3,2-b]pyridin-6-ylmethanol
SMILESOCc1ccc2c(n1)C=CCO2
InChIInChI=1S/C9H9NO2/c11-6-7-3-4-9-8(10-7)2-1-5-12-9/h1-4,11H,5-6H2
InChIKeyWUIVRVZTNGSOSW-UHFFFAOYSA-N
XLogP0.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrano[3,2-b]pyridin-6-ylmethanol?
The IUPAC name of 2H-pyrano[3,2-b]pyridin-6-ylmethanol (CID 135256237) is 2H-pyrano[3,2-b]pyridin-6-ylmethanol.
What is the SMILES notation for 2H-pyrano[3,2-b]pyridin-6-ylmethanol?
The canonical SMILES for 2H-pyrano[3,2-b]pyridin-6-ylmethanol is OCc1ccc2c(n1)C=CCO2.
What is the InChIKey of 2H-pyrano[3,2-b]pyridin-6-ylmethanol?
The InChIKey is WUIVRVZTNGSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-6-7-3-4-9-8(10-7)2-1-5-12-9/h1-4,11H,5-6H2.
What are the key properties of 2H-pyrano[3,2-b]pyridin-6-ylmethanol?
2H-pyrano[3,2-b]pyridin-6-ylmethanol has a molecular weight of 163.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrano[3,2-b]pyridin-6-ylmethanol is sourced from PubChem (CID 135256237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).