4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid

C9H5NO3S — CID 74892802

IUPAC4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1csc2ncccc2c1=O
InChIInChI=1S/C9H5NO3S/c11-7-5-2-1-3-10-8(5)14-4-6(7)9(12)13/h1-4H,(H,12,13)
InChIKeyXLUGROXTMHOJCW-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.35
Rot. Bonds1

About 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid

4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid (PubChem CID 74892802) has the molecular formula C9H5NO3S and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
PubChem CID74892802
Molecular FormulaC9H5NO3S
Molecular Weight207.21 g/mol
Exact Mass207.00
IUPAC Name4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1csc2ncccc2c1=O
InChIInChI=1S/C9H5NO3S/c11-7-5-2-1-3-10-8(5)14-4-6(7)9(12)13/h1-4H,(H,12,13)
InChIKeyXLUGROXTMHOJCW-UHFFFAOYSA-N
XLogP1.35
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thieno[2,3-b]pyridin-3-ylacetic acid
CID 82402092
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
N-(1-thieno[2,3-b]pyridin-3-ylethylidene)hydroxylamine
CID 130883012
thieno[2,3-b]pyridine-4-carboxylic acid
CID 54059213
4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 175942227
5-amino-1,6-naphthyridine-8-carboxylic acid
CID 73425151
4-chloro-1,8-naphthyridine-3-carboxylic acid
CID 84676405
4-thieno[2,3-b]pyridin-3-ylphenol
CID 139624317
pyridine-2,3-dicarboxylic acid
CID 1066
3-cyclopropylthieno[2,3-b]pyridine
CID 119087285
2-(oxaloamino)thieno[2,3-b]pyridine-3-carboxylic acid
CID 57259546
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090

Frequently Asked Questions

What is the IUPAC name of 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid (CID 74892802) is 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid is O=C(O)c1csc2ncccc2c1=O.
What is the InChIKey of 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is XLUGROXTMHOJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO3S/c11-7-5-2-1-3-10-8(5)14-4-6(7)9(12)13/h1-4H,(H,12,13).
What are the key properties of 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid?
4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 207.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 74892802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).