3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid

C11H6N2O3S — CID 121210134

IUPAC3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid
SMILESN#Cc1c(C(=O)O)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H6N2O3S/c12-5-7-6(11(15)16)4-8(13-10(7)14)9-2-1-3-17-9/h1-4H,(H,13,14)(H,15,16)
InChIKeyYTAAAYVVWWOBGC-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.67
Rot. Bonds2

About 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid

3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid (PubChem CID 121210134) has the molecular formula C11H6N2O3S and a molecular weight of 246.25 g/mol. Its IUPAC name is 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid
PubChem CID121210134
Molecular FormulaC11H6N2O3S
Molecular Weight246.25 g/mol
Exact Mass246.01
IUPAC Name3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid
SMILESN#Cc1c(C(=O)O)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H6N2O3S/c12-5-7-6(11(15)16)4-8(13-10(7)14)9-2-1-3-17-9/h1-4H,(H,13,14)(H,15,16)
InChIKeyYTAAAYVVWWOBGC-UHFFFAOYSA-N
XLogP1.67
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 698147
3-Cyano-2-hydroxy-6-(2-thienyl)-pyridine
CID 825326
4-methylsulfinyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 118725986
4-methylsulfanyl-2-oxo-6-(2-thienyl)-1H-pyridine-3-carbonitrile
CID 2743463
1,2-Dihydro-2-oxo-6-(2-thienyl)-3-pyridinecarboxylic acid
CID 21548074
3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile
CID 22572637
2-oxo-6-thiophen-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
CID 170873571
4-Isopropyl-2-oxo-6-thiophen-2-yl-1,2-dihydro-pyridine-3-carbonitrile
CID 57446308
1,2-Dihydro-6-(5-methyl-2-thienyl)-2-oxo-3-pyridinecarboxylic acid
CID 61658688
6-(3-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 63993091
ethyl 3-cyano-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-4-carboxylate
CID 118050692
1,2-Dihydro-6-(5-methyl-3-thienyl)-2-oxo-3-pyridinecarboxylic acid
CID 168205734

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid (CID 121210134) is 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid is N#Cc1c(C(=O)O)cc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid?
The InChIKey is YTAAAYVVWWOBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3S/c12-5-7-6(11(15)16)4-8(13-10(7)14)9-2-1-3-17-9/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid?
3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid has a molecular weight of 246.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-oxo-6-thiophen-2-yl-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 121210134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).