5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid

C9H6N2O3S — CID 106921080

IUPAC5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ncco2)cn1
InChIInChI=1S/C9H6N2O3S/c12-8(13)7-2-1-6(5-11-7)15-9-10-3-4-14-9/h1-5H,(H,12,13)
InChIKeyJIQUUEUSYIJDHZ-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.92
Rot. Bonds3

About 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid

5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid (PubChem CID 106921080) has the molecular formula C9H6N2O3S and a molecular weight of 222.23 g/mol. Its IUPAC name is 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
PubChem CID106921080
Molecular FormulaC9H6N2O3S
Molecular Weight222.23 g/mol
Exact Mass222.01
IUPAC Name5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ncco2)cn1
InChIInChI=1S/C9H6N2O3S/c12-8(13)7-2-1-6(5-11-7)15-9-10-3-4-14-9/h1-5H,(H,12,13)
InChIKeyJIQUUEUSYIJDHZ-UHFFFAOYSA-N
XLogP1.92
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 115491187
5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921062
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carbonitrile
CID 106922375
5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 115491247
3-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921121
5-(4-fluoro-3-methylphenyl)sulfanylpyridine-2-carboxylic acid
CID 117032191
5-(1-methylpyrazol-4-yl)sulfanylpyridine-2-carboxylic acid
CID 115491227
1-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]triazole-4-carboxylic acid
CID 106920719
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926334
5-[2-[4-[2-(6-carboxy-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine-2-carboxylic acid
CID 132516488
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carboxylic acid
CID 115491188
3-amino-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106924122

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid (CID 106921080) is 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(Sc2ncco2)cn1.
What is the InChIKey of 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid?
The InChIKey is JIQUUEUSYIJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3S/c12-8(13)7-2-1-6(5-11-7)15-9-10-3-4-14-9/h1-5H,(H,12,13).
What are the key properties of 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid?
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid has a molecular weight of 222.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106921080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).