5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine

C8H8ClNS — CID 105441953

IUPAC5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine
SMILESClc1nccc2c1CCSC2
InChIInChI=1S/C8H8ClNS/c9-8-7-2-4-11-5-6(7)1-3-10-8/h1,3H,2,4-5H2
InChIKeySDKTUMXMAUVGLY-UHFFFAOYSA-N
MW185.68 g/mol
LogP2.52
Rot. Bonds

About 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine

5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine (PubChem CID 105441953) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine
PubChem CID105441953
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC Name5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine
SMILESClc1nccc2c1CCSC2
InChIInChI=1S/C8H8ClNS/c9-8-7-2-4-11-5-6(7)1-3-10-8/h1,3H,2,4-5H2
InChIKeySDKTUMXMAUVGLY-UHFFFAOYSA-N
XLogP2.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine?
The IUPAC name of 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine (CID 105441953) is 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine.
What is the SMILES notation for 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine?
The canonical SMILES for 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine is Clc1nccc2c1CCSC2.
What is the InChIKey of 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine?
The InChIKey is SDKTUMXMAUVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNS/c9-8-7-2-4-11-5-6(7)1-3-10-8/h1,3H,2,4-5H2.
What are the key properties of 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine?
5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine has a molecular weight of 185.68 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine is sourced from PubChem (CID 105441953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).