5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

C12H8N2O2S — CID 82118027

IUPAC5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(=O)[nH]c1-c1cccs1
InChIInChI=1S/C12H8N2O2S/c1-7(15)9-5-8(6-13)12(16)14-11(9)10-3-2-4-17-10/h2-5H,1H3,(H,14,16)
InChIKeyIIEVCFRZGPESGG-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.18
Rot. Bonds2

About 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile

5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 82118027) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID82118027
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(=O)[nH]c1-c1cccs1
InChIInChI=1S/C12H8N2O2S/c1-7(15)9-5-8(6-13)12(16)14-11(9)10-3-2-4-17-10/h2-5H,1H3,(H,14,16)
InChIKeyIIEVCFRZGPESGG-UHFFFAOYSA-N
XLogP2.18
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
CID 2816326
2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 698147
4,6-dimethyl-3-[2-methyl-3-(2-thienyl)acryloyl]-2(1H)-pyridinone
CID 5721587
3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CID 825326
4-methylsulfinyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 118725986
4,6-dimethyl-3-[3-(2-thienyl)acryloyl]-2(1H)-pyridinone
CID 5720119
4-methylsulfanyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 2743463
4-oxo-2-(2-oxopropylsulfanyl)-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile
CID 135460554
Sbb041877
CID 786829
6-oxo-N-(thiophen-2-ylmethyl)-1,6-dihydropyridine-3-carboxamide
CID 2107963
N-acetyl-2-cyano-3-(thiophen-2-ylmethylamino)prop-2-enamide
CID 3738158
6-(Thiophen-2-yl)pyridin-2(1H)-one
CID 45788012

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 82118027) is 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(=O)[nH]c1-c1cccs1.
What is the InChIKey of 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is IIEVCFRZGPESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c1-7(15)9-5-8(6-13)12(16)14-11(9)10-3-2-4-17-10/h2-5H,1H3,(H,14,16).
What are the key properties of 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 244.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82118027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).