6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one

C18H13NO2S — CID 25158749

IUPAC6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESO=C1OCCc2cc(-c3ccccc3)nc(-c3cccs3)c21
InChIInChI=1S/C18H13NO2S/c20-18-16-13(8-9-21-18)11-14(12-5-2-1-3-6-12)19-17(16)15-7-4-10-22-15/h1-7,10-11H,8-9H2
InChIKeyNYXBJTLHBPTXRE-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.19
Rot. Bonds2

About 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one

6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one (PubChem CID 25158749) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one
PubChem CID25158749
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESO=C1OCCc2cc(-c3ccccc3)nc(-c3cccs3)c21
InChIInChI=1S/C18H13NO2S/c20-18-16-13(8-9-21-18)11-14(12-5-2-1-3-6-12)19-17(16)15-7-4-10-22-15/h1-7,10-11H,8-9H2
InChIKeyNYXBJTLHBPTXRE-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The IUPAC name of 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one (CID 25158749) is 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The canonical SMILES for 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one is O=C1OCCc2cc(-c3ccccc3)nc(-c3cccs3)c21.
What is the InChIKey of 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The InChIKey is NYXBJTLHBPTXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c20-18-16-13(8-9-21-18)11-14(12-5-2-1-3-6-12)19-17(16)15-7-4-10-22-15/h1-7,10-11H,8-9H2.
What are the key properties of 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one has a molecular weight of 307.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one is sourced from PubChem (CID 25158749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).