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

C9H9NOS — CID 83816852

IUPAC7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1cnc2c(c1)CSCC2
InChIInChI=1S/C9H9NOS/c11-5-7-3-8-6-12-2-1-9(8)10-4-7/h3-5H,1-2,6H2
InChIKeyXUVBWSDTEMQVRI-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.68
Rot. Bonds1

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

7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde (PubChem CID 83816852) 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-3-carbaldehyde.

Molecular Properties

Compound Name7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde
PubChem CID83816852
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1cnc2c(c1)CSCC2
InChIInChI=1S/C9H9NOS/c11-5-7-3-8-6-12-2-1-9(8)10-4-7/h3-5H,1-2,6H2
InChIKeyXUVBWSDTEMQVRI-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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Related Compounds

2-(Benzylsulfanyl)nicotinaldehyde
CID 4531915
6-(Pyridin-2-yl)pyridine-3-carbaldehyde
CID 10866997
(2,4'-Bipyridine)-3-carbaldehyde
CID 46316046
S-benzyl pyridine-3-carbothioate
CID 287257
2-Phenylpyridine-3-carboxaldehyde
CID 12581874
2-(3-Fluorophenyl)nicotinaldehyde
CID 46313098
3-Methyl-7,8-dihydroquinolin-5(6H)-one
CID 595192
3-(Trifluoromethyl)-5,6,7,8-tetrahydroquinolin-5-one
CID 25324065
6-(Thiophen-3-yl)pyridine-3-carbaldehyde
CID 2764563
2-(3-Thienyl)Nicotinaldehyde
CID 2764564
6-Tert-butylpyridine-3-carbaldehyde
CID 11240665
5,6,7,8-Tetrahydroquinoline-3-carbaldehyde
CID 12083035

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde (CID 83816852) is 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde is O=Cc1cnc2c(c1)CSCC2.
What is the InChIKey of 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde?
The InChIKey is XUVBWSDTEMQVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c11-5-7-3-8-6-12-2-1-9(8)10-4-7/h3-5H,1-2,6H2.
What are the key properties of 7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbaldehyde?
7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-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-3-carbaldehyde is sourced from PubChem (CID 83816852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).