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

C9H7N3O3 — CID 71289011

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)ccn2)no1
InChIInChI=1S/C9H7N3O3/c1-5-11-8(12-15-5)7-4-6(9(13)14)2-3-10-7/h2-4H,1H3,(H,13,14)
InChIKeySJOURFJMHLKRHZ-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.14
Rot. Bonds2

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid (PubChem CID 71289011) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
PubChem CID71289011
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)ccn2)no1
InChIInChI=1S/C9H7N3O3/c1-5-11-8(12-15-5)7-4-6(9(13)14)2-3-10-7/h2-4H,1H3,(H,13,14)
InChIKeySJOURFJMHLKRHZ-UHFFFAOYSA-N
XLogP1.14
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Z)-N'-hydroxycarbamimidoyl]pyridine-4-carboxylic acid;2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 172965476
2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxylic acid
CID 58252537
4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 129038073
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid
CID 68554341
5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 131172474
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
2-(6-methyl-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113829
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
CID 84671306
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid (CID 71289011) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid is Cc1nc(-c2cc(C(=O)O)ccn2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid?
The InChIKey is SJOURFJMHLKRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-5-11-8(12-15-5)7-4-6(9(13)14)2-3-10-7/h2-4H,1H3,(H,13,14).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid?
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 71289011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).