7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde

C9H9NOS — CID 83914942

IUPAC7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc2c1CSCC2
InChIInChI=1S/C9H9NOS/c11-5-7-1-3-10-9-2-4-12-6-8(7)9/h1,3,5H,2,4,6H2
InChIKeyYZYGRZMWBQWLPE-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.68
Rot. Bonds1

About 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde

7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde (PubChem CID 83914942) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde
PubChem CID83914942
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde
SMILESO=Cc1ccnc2c1CSCC2
InChIInChI=1S/C9H9NOS/c11-5-7-1-3-10-9-2-4-12-6-8(7)9/h1,3,5H,2,4,6H2
InChIKeyYZYGRZMWBQWLPE-UHFFFAOYSA-N
XLogP1.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.68
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 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde?
The IUPAC name of 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde (CID 83914942) is 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde.
What is the SMILES notation for 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde?
The canonical SMILES for 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde is O=Cc1ccnc2c1CSCC2.
What is the InChIKey of 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde?
The InChIKey is YZYGRZMWBQWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c11-5-7-1-3-10-9-2-4-12-6-8(7)9/h1,3,5H,2,4,6H2.
What are the key properties of 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde?
7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde has a molecular weight of 179.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carbaldehyde is sourced from PubChem (CID 83914942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).