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

C9H7N3O3S — CID 62253442

IUPAC4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
SMILESCc1nnc(Sc2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C9H7N3O3S/c1-5-11-12-9(15-5)16-6-2-3-10-7(4-6)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyVEHHMBSOANEACD-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.62
Rot. Bonds3

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

4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid (PubChem CID 62253442) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
PubChem CID62253442
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
SMILESCc1nnc(Sc2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C9H7N3O3S/c1-5-11-12-9(15-5)16-6-2-3-10-7(4-6)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyVEHHMBSOANEACD-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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid (CID 62253442) is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid is Cc1nnc(Sc2ccnc(C(=O)O)c2)o1.
What is the InChIKey of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid?
The InChIKey is VEHHMBSOANEACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c1-5-11-12-9(15-5)16-6-2-3-10-7(4-6)8(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid?
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-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 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 62253442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).