2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile

C10H8N2O2S — CID 4916519

IUPAC2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile
SMILESCc1cc2c(c(SCC#N)n1)C(=O)OC2
InChIInChI=1S/C10H8N2O2S/c1-6-4-7-5-14-10(13)8(7)9(12-6)15-3-2-11/h4H,3,5H2,1H3
InChIKeyIIMNPPTVUFYDGA-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.68
Rot. Bonds2

About 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile

2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile (PubChem CID 4916519) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile
PubChem CID4916519
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile
SMILESCc1cc2c(c(SCC#N)n1)C(=O)OC2
InChIInChI=1S/C10H8N2O2S/c1-6-4-7-5-14-10(13)8(7)9(12-6)15-3-2-11/h4H,3,5H2,1H3
InChIKeyIIMNPPTVUFYDGA-UHFFFAOYSA-N
XLogP1.68
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile with MolForge

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Related Compounds

Ethyl [(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)thio]acetate
CID 1502627
4-(allylthio)-6-methylfuro[3,4-c]pyridin-3(1H)-one
CID 4918515
2-[(6-Methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)thio]acetamide
CID 1521522
Ethyl 3-cyano-6-methyl-2-(methylthio)isonicotinate
CID 2726217
Ethyl 3-cyano-6-methyl-2-(prop-2-ynylthio)isonicotinate
CID 2726218
Ethyl 5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 2745170
2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 715202
6-methyl-4-(phenylsulfanyl)furo[3,4-c]pyridin-3(1H)-one
CID 683700
N-methyl-2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)thio]-N-phenylacetamide
CID 715200
N-benzyl-N-ethyl-2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)thio]acetamide
CID 1267760
Ethyl 2-(allylthio)-3-cyano-6-methylisonicotinate
CID 2726219
N-(3,4-dimethylphenyl)-2-[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)thio]acetamide
CID 1509229

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile (CID 4916519) is 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile is Cc1cc2c(c(SCC#N)n1)C(=O)OC2.
What is the InChIKey of 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile?
The InChIKey is IIMNPPTVUFYDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-4-7-5-14-10(13)8(7)9(12-6)15-3-2-11/h4H,3,5H2,1H3.
What are the key properties of 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile?
2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-oxo-1H-furo[3,4-c]pyridin-4-yl)sulfanyl]acetonitrile is sourced from PubChem (CID 4916519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).