5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid

C8H4ClN3O2S2 — CID 114920084

IUPAC5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Sc2nncs2)ncc1Cl
InChIInChI=1S/C8H4ClN3O2S2/c9-5-2-10-6(1-4(5)7(13)14)16-8-12-11-3-15-8/h1-3H,(H,13,14)
InChIKeyPLPSDGGEHWPCJZ-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.44
Rot. Bonds3

About 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid

5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid (PubChem CID 114920084) has the molecular formula C8H4ClN3O2S2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid
PubChem CID114920084
Molecular FormulaC8H4ClN3O2S2
Molecular Weight273.73 g/mol
Exact Mass272.94
IUPAC Name5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Sc2nncs2)ncc1Cl
InChIInChI=1S/C8H4ClN3O2S2/c9-5-2-10-6(1-4(5)7(13)14)16-8-12-11-3-15-8/h1-3H,(H,13,14)
InChIKeyPLPSDGGEHWPCJZ-UHFFFAOYSA-N
XLogP2.44
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 114920144
5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920118
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920125
5-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779233
5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
CID 114920104
2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 22915547
2-amino-5-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 60987603
5-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 62510829
5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920158
2-butan-2-ylsulfanyl-5-chloropyridine-4-carboxylic acid
CID 114920088
5-chloro-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 137013138
4-methoxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 81309328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid (CID 114920084) is 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Sc2nncs2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The InChIKey is PLPSDGGEHWPCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2S2/c9-5-2-10-6(1-4(5)7(13)14)16-8-12-11-3-15-8/h1-3H,(H,13,14).
What are the key properties of 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid?
5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid has a molecular weight of 273.73 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114920084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).