6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid

C10H11NO3S — CID 103064580

IUPAC6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C2CCSC2)c1
InChIInChI=1S/C10H11NO3S/c12-9-2-1-7(10(13)14)5-11(9)8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H,13,14)
InChIKeyKARFVYXABZZJDN-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.22
Rot. Bonds2

About 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid

6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid (PubChem CID 103064580) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid
PubChem CID103064580
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C2CCSC2)c1
InChIInChI=1S/C10H11NO3S/c12-9-2-1-7(10(13)14)5-11(9)8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H,13,14)
InChIKeyKARFVYXABZZJDN-UHFFFAOYSA-N
XLogP1.22
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid
CID 130556374
1-(2,2-dimethyloxan-4-yl)-6-oxopyridine-3-carboxylic acid
CID 83039302
1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid
CID 79878468
1-(thiolan-3-yl)imidazole-2-carboxylic acid
CID 84733611
2-ethyl-3-(thiolan-3-yl)benzimidazole-5-carboxylic acid
CID 103064218
1-(thiolan-3-yl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65057227
6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid
CID 163342863
1-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxylic acid
CID 110129643
3-amino-1-(thiolan-3-yl)pyridin-4-one
CID 165472423
1-(thietan-3-yl)pyridin-2-one
CID 10057899
3-(thiolan-3-ylmethyl)benzotriazole-5-carboxylic acid
CID 107296493
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid (CID 103064580) is 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(C2CCSC2)c1.
What is the InChIKey of 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid?
The InChIKey is KARFVYXABZZJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9-2-1-7(10(13)14)5-11(9)8-3-4-15-6-8/h1-2,5,8H,3-4,6H2,(H,13,14).
What are the key properties of 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid?
6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 103064580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).