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

C9H7N3O3S — CID 81442469

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid
SMILESCc1nnc(Oc2cnccc2C(=O)O)s1
InChIInChI=1S/C9H7N3O3S/c1-5-11-12-9(16-5)15-7-4-10-3-2-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyPUSGUCRQTYWYEA-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.73
Rot. Bonds3

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

3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid (PubChem CID 81442469) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid
PubChem CID81442469
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid
SMILESCc1nnc(Oc2cnccc2C(=O)O)s1
InChIInChI=1S/C9H7N3O3S/c1-5-11-12-9(16-5)15-7-4-10-3-2-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChIKeyPUSGUCRQTYWYEA-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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzoic acid
CID 65208222
3-(6-methylpyridazin-3-yl)oxypyridine-4-carboxylic acid
CID 81443389
3-[(4-chloro-1,3-thiazol-2-yl)oxy]pyridine-4-carboxylic acid
CID 83156671
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885
3-(2-carbamoylphenoxy)pyridine-4-carboxylic acid
CID 105062501
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443048
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
5-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-3-carboxylic acid
CID 65208563
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-(2-bromophenoxy)pyridine-4-carboxylic acid
CID 114288896

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid (CID 81442469) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid is Cc1nnc(Oc2cnccc2C(=O)O)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid?
The InChIKey is PUSGUCRQTYWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c1-5-11-12-9(16-5)15-7-4-10-3-2-6(7)8(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-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 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81442469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).