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

C9H5BrN2O3S — CID 106921120

IUPAC5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1Sc1ncco1
InChIInChI=1S/C9H5BrN2O3S/c10-5-3-6(8(13)14)7(12-4-5)16-9-11-1-2-15-9/h1-4H,(H,13,14)
InChIKeyYIFGPSXFXVFOGH-UHFFFAOYSA-N
MW301.12 g/mol
LogP2.68
Rot. Bonds3

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

5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid (PubChem CID 106921120) has the molecular formula C9H5BrN2O3S and a molecular weight of 301.12 g/mol. Its IUPAC name is 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid
PubChem CID106921120
Molecular FormulaC9H5BrN2O3S
Molecular Weight301.12 g/mol
Exact Mass299.92
IUPAC Name5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1Sc1ncco1
InChIInChI=1S/C9H5BrN2O3S/c10-5-3-6(8(13)14)7(12-4-5)16-9-11-1-2-15-9/h1-4H,(H,13,14)
InChIKeyYIFGPSXFXVFOGH-UHFFFAOYSA-N
XLogP2.68
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62000232
5-bromo-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65038907
2-bromo-3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 107540893
5-bromo-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 62000235
3-amino-2-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106924122
5-bromo-2-(2-methylbutylsulfanyl)pyridine-3-carboxylic acid
CID 107747337
5-bromo-2-methylsulfanylpyridine-3-carboxamide
CID 145411187
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921080
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 116686660
3-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 106921121
N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922583
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922788

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid (CID 106921120) is 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid is O=C(O)c1cc(Br)cnc1Sc1ncco1.
What is the InChIKey of 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid?
The InChIKey is YIFGPSXFXVFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN2O3S/c10-5-3-6(8(13)14)7(12-4-5)16-9-11-1-2-15-9/h1-4H,(H,13,14).
What are the key properties of 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid?
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid has a molecular weight of 301.12 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 106921120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).