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

C9H7N3O3S — CID 65208563

IUPAC5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid
SMILESCc1nnc(Oc2cncc(C(=O)O)c2)s1
InChIInChI=1S/C9H7N3O3S/c1-5-11-12-9(16-5)15-7-2-6(8(13)14)3-10-4-7/h2-4H,1H3,(H,13,14)
InChIKeyMFKREFMTBNAAKC-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.73
Rot. Bonds3

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

5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid (PubChem CID 65208563) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid
PubChem CID65208563
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid
SMILESCc1nnc(Oc2cncc(C(=O)O)c2)s1
InChIInChI=1S/C9H7N3O3S/c1-5-11-12-9(16-5)15-7-2-6(8(13)14)3-10-4-7/h2-4H,1H3,(H,13,14)
InChIKeyMFKREFMTBNAAKC-UHFFFAOYSA-N
XLogP1.73
TPSA85.20 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
3-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
CID 107672815
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxypyridine-3-carboxylic acid
CID 63850530
3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid
CID 81442469
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-pyridazin-3-yloxypyridine-3-carboxylic acid
CID 63850700
5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63850017
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzoate
CID 121397302
5-formyloxypyridine-3-carboxylic acid
CID 153455132
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888
5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 113469480
5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]pyridine-3-carboxylic acid
CID 63852585

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid (CID 65208563) is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid is Cc1nnc(Oc2cncc(C(=O)O)c2)s1.
What is the InChIKey of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid?
The InChIKey is MFKREFMTBNAAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c1-5-11-12-9(16-5)15-7-2-6(8(13)14)3-10-4-7/h2-4H,1H3,(H,13,14).
What are the key properties of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid?
5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid has a molecular weight of 237.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 65208563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).