6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde

C9H9NO2 — CID 174208643

IUPAC6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde
SMILESO=Cc1cnc2c(c1)CCOC2
InChIInChI=1S/C9H9NO2/c11-5-7-3-8-1-2-12-6-9(8)10-4-7/h3-5H,1-2,6H2
InChIKeyQSFIWFHOVPOVPL-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.97
Rot. Bonds1

About 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde

6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde (PubChem CID 174208643) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde
PubChem CID174208643
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde
SMILESO=Cc1cnc2c(c1)CCOC2
InChIInChI=1S/C9H9NO2/c11-5-7-3-8-1-2-12-6-9(8)10-4-7/h3-5H,1-2,6H2
InChIKeyQSFIWFHOVPOVPL-UHFFFAOYSA-N
XLogP0.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde?
The IUPAC name of 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde (CID 174208643) is 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde is O=Cc1cnc2c(c1)CCOC2.
What is the InChIKey of 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde?
The InChIKey is QSFIWFHOVPOVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-5-7-3-8-1-2-12-6-9(8)10-4-7/h3-5H,1-2,6H2.
What are the key properties of 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde?
6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde has a molecular weight of 163.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-pyrano[3,4-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 174208643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).