6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile

C9H8N2OS — CID 82375955

IUPAC6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESN#Cc1c2c(c[nH]c1=O)CSCC2
InChIInChI=1S/C9H8N2OS/c10-3-8-7-1-2-13-5-6(7)4-11-9(8)12/h4H,1-2,5H2,(H,11,12)
InChIKeyYSQQTMDNANOFFV-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.04
Rot. Bonds

About 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile

6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 82375955) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID82375955
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESN#Cc1c2c(c[nH]c1=O)CSCC2
InChIInChI=1S/C9H8N2OS/c10-3-8-7-1-2-13-5-6(7)4-11-9(8)12/h4H,1-2,5H2,(H,11,12)
InChIKeyYSQQTMDNANOFFV-UHFFFAOYSA-N
XLogP1.04
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile (CID 82375955) is 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile is N#Cc1c2c(c[nH]c1=O)CSCC2.
What is the InChIKey of 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is YSQQTMDNANOFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-3-8-7-1-2-13-5-6(7)4-11-9(8)12/h4H,1-2,5H2,(H,11,12).
What are the key properties of 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 192.24 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1,3,4,7-tetrahydrothiopyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 82375955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).