3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde

C9H9NO2 — CID 56640311

IUPAC3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde
SMILESO=Cc1cc2c(cn1)OCCC2
InChIInChI=1S/C9H9NO2/c11-6-8-4-7-2-1-3-12-9(7)5-10-8/h4-6H,1-3H2
InChIKeyDSOLBHZRAGNEPO-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.22
Rot. Bonds1

About 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde

3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde (PubChem CID 56640311) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde
PubChem CID56640311
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde
SMILESO=Cc1cc2c(cn1)OCCC2
InChIInChI=1S/C9H9NO2/c11-6-8-4-7-2-1-3-12-9(7)5-10-8/h4-6H,1-3H2
InChIKeyDSOLBHZRAGNEPO-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
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 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde?
The IUPAC name of 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde (CID 56640311) is 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde.
What is the SMILES notation for 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde?
The canonical SMILES for 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde is O=Cc1cc2c(cn1)OCCC2.
What is the InChIKey of 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde?
The InChIKey is DSOLBHZRAGNEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-6-8-4-7-2-1-3-12-9(7)5-10-8/h4-6H,1-3H2.
What are the key properties of 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde?
3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde has a molecular weight of 163.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde is sourced from PubChem (CID 56640311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).