2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid

C10H7ClN2O3S — CID 55106429

IUPAC2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid
SMILESCc1nnc(Sc2cccc(Cl)c2C(=O)O)o1
InChIInChI=1S/C10H7ClN2O3S/c1-5-12-13-10(16-5)17-7-4-2-3-6(11)8(7)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeySNQLLFOCXPAPSX-UHFFFAOYSA-N
MW270.70 g/mol
LogP2.88
Rot. Bonds3

About 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid

2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid (PubChem CID 55106429) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid
PubChem CID55106429
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid
SMILESCc1nnc(Sc2cccc(Cl)c2C(=O)O)o1
InChIInChI=1S/C10H7ClN2O3S/c1-5-12-13-10(16-5)17-7-4-2-3-6(11)8(7)9(14)15/h2-4H,1H3,(H,14,15)
InChIKeySNQLLFOCXPAPSX-UHFFFAOYSA-N
XLogP2.88
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid?
The IUPAC name of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid (CID 55106429) is 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid?
The canonical SMILES for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid is Cc1nnc(Sc2cccc(Cl)c2C(=O)O)o1.
What is the InChIKey of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid?
The InChIKey is SNQLLFOCXPAPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c1-5-12-13-10(16-5)17-7-4-2-3-6(11)8(7)9(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid?
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid has a molecular weight of 270.70 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoic acid is sourced from PubChem (CID 55106429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).