4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid

C14H8N2O3S — CID 22939340

IUPAC4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)nc(-c3ccccn3)sc2c1
InChIInChI=1S/C14H8N2O3S/c17-12-9-5-4-8(14(18)19)7-11(9)20-13(16-12)10-3-1-2-6-15-10/h1-7H,(H,18,19)
InChIKeyOGRLLZFUGYPDPO-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.42
Rot. Bonds2

About 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid

4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid (PubChem CID 22939340) has the molecular formula C14H8N2O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid
PubChem CID22939340
Molecular FormulaC14H8N2O3S
Molecular Weight284.30 g/mol
Exact Mass284.03
IUPAC Name4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)nc(-c3ccccn3)sc2c1
InChIInChI=1S/C14H8N2O3S/c17-12-9-5-4-8(14(18)19)7-11(9)20-13(16-12)10-3-1-2-6-15-10/h1-7H,(H,18,19)
InChIKeyOGRLLZFUGYPDPO-UHFFFAOYSA-N
XLogP2.42
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-7-yl)acetamide
CID 139983462
[1]benzothiolo[3,2-b][1]benzothiole-2,7-dicarboxylic acid
CID 58150677
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-(3-cyclopentyl-6-methyl-1-benzothiophen-2-yl)pyridine;3-cyclopentyl-2-pyridin-2-yl-1-benzothiophene-6-carboxylic acid
CID 91206504
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
2-[4-(4-carboxyphenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-4-carboxylic acid
CID 102183000
2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 118281877
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid?
The IUPAC name of 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid (CID 22939340) is 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid.
What is the SMILES notation for 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid?
The canonical SMILES for 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid is O=C(O)c1ccc2c(=O)nc(-c3ccccn3)sc2c1.
What is the InChIKey of 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid?
The InChIKey is OGRLLZFUGYPDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O3S/c17-12-9-5-4-8(14(18)19)7-11(9)20-13(16-12)10-3-1-2-6-15-10/h1-7H,(H,18,19).
What are the key properties of 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid?
4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid has a molecular weight of 284.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid is sourced from PubChem (CID 22939340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).