2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid

C9H7N3O3S — CID 60726439

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1nnc(Sc2cc(C(=O)O)ccn2)o1
InChIInChI=1S/C9H7N3O3S/c1-5-11-12-9(15-5)16-7-4-6(8(13)14)2-3-10-7/h2-4H,1H3,(H,13,14)
InChIKeyIJWMCCXKWRIEHP-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.62
Rot. Bonds3

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid (PubChem CID 60726439) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
PubChem CID60726439
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1nnc(Sc2cc(C(=O)O)ccn2)o1
InChIInChI=1S/C9H7N3O3S/c1-5-11-12-9(15-5)16-7-4-6(8(13)14)2-3-10-7/h2-4H,1H3,(H,13,14)
InChIKeyIJWMCCXKWRIEHP-UHFFFAOYSA-N
XLogP1.62
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 62253629
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 62253442
2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779261
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid
CID 113380394
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726288
2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 106972467
2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid
CID 61299738
2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 62343482
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 63739046
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]pyridine-4-carboxylic acid
CID 61301283
2-(trifluoromethylsulfanyl)pyridine-4-carboxylic acid
CID 61301083
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 8708398

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid (CID 60726439) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid is Cc1nnc(Sc2cc(C(=O)O)ccn2)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The InChIKey is IJWMCCXKWRIEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c1-5-11-12-9(15-5)16-7-4-6(8(13)14)2-3-10-7/h2-4H,1H3,(H,13,14).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid has a molecular weight of 237.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 60726439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).