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

C9H6ClN3O3S — CID 62253629

IUPAC2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1nnc(Sc2cc(C(=O)O)cc(Cl)n2)o1
InChIInChI=1S/C9H6ClN3O3S/c1-4-12-13-9(16-4)17-7-3-5(8(14)15)2-6(10)11-7/h2-3H,1H3,(H,14,15)
InChIKeyVSDHKQONJDMSFL-UHFFFAOYSA-N
MW271.69 g/mol
LogP2.28
Rot. Bonds3

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

2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid (PubChem CID 62253629) has the molecular formula C9H6ClN3O3S and a molecular weight of 271.69 g/mol. Its IUPAC name is 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
PubChem CID62253629
Molecular FormulaC9H6ClN3O3S
Molecular Weight271.69 g/mol
Exact Mass270.98
IUPAC Name2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1nnc(Sc2cc(C(=O)O)cc(Cl)n2)o1
InChIInChI=1S/C9H6ClN3O3S/c1-4-12-13-9(16-4)17-7-3-5(8(14)15)2-6(10)11-7/h2-3H,1H3,(H,14,15)
InChIKeyVSDHKQONJDMSFL-UHFFFAOYSA-N
XLogP2.28
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid
CID 113380394
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726439
2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 43166625
2-chloro-6-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid
CID 43166621
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 104602659
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-(2-methylpropylsulfanyl)pyridine-4-carboxylic acid
CID 43166634
2-chloro-6-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 79326598
2-(2-chloropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 62343482
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 62253442
2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
CID 143234511
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine
CID 115916036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid (CID 62253629) is 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid is Cc1nnc(Sc2cc(C(=O)O)cc(Cl)n2)o1.
What is the InChIKey of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The InChIKey is VSDHKQONJDMSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O3S/c1-4-12-13-9(16-4)17-7-3-5(8(14)15)2-6(10)11-7/h2-3H,1H3,(H,14,15).
What are the key properties of 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid has a molecular weight of 271.69 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 62253629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).