3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one

C14H8ClNOS — CID 817895

IUPAC3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one
SMILESO=c1sc2ncccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClNOS/c15-11-5-3-9(4-6-11)12-8-10-2-1-7-16-13(10)18-14(12)17/h1-8H
InChIKeyYZKGSPNNVLAYKI-UHFFFAOYSA-N
MW273.74 g/mol
LogP3.98
Rot. Bonds1

About 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one

3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one (PubChem CID 817895) has the molecular formula C14H8ClNOS and a molecular weight of 273.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one
PubChem CID817895
Molecular FormulaC14H8ClNOS
Molecular Weight273.74 g/mol
Exact Mass273.00
IUPAC Name3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one
SMILESO=c1sc2ncccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClNOS/c15-11-5-3-9(4-6-11)12-8-10-2-1-7-16-13(10)18-14(12)17/h1-8H
InChIKeyYZKGSPNNVLAYKI-UHFFFAOYSA-N
XLogP3.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one (CID 817895) is 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one is O=c1sc2ncccc2cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one?
The InChIKey is YZKGSPNNVLAYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNOS/c15-11-5-3-9(4-6-11)12-8-10-2-1-7-16-13(10)18-14(12)17/h1-8H.
What are the key properties of 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one?
3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one has a molecular weight of 273.74 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 817895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).