potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate

C8H4KN3O3 — CID 71758263

IUPACpotassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(-c2ccncc2)o1.[K+]
InChIInChI=1S/C8H5N3O3.K/c12-8(13)7-11-10-6(14-7)5-1-3-9-4-2-5;/h1-4H,(H,12,13);/q;+1/p-1
InChIKeyGZKYBSPMGFNJJX-UHFFFAOYSA-M
MW229.24 g/mol
LogP-3.50
Rot. Bonds2

About potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate

potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 71758263) has the molecular formula C8H4KN3O3 and a molecular weight of 229.24 g/mol. Its IUPAC name is potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
PubChem CID71758263
Molecular FormulaC8H4KN3O3
Molecular Weight229.24 g/mol
Exact Mass228.99
IUPAC Namepotassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(-c2ccncc2)o1.[K+]
InChIInChI=1S/C8H5N3O3.K/c12-8(13)7-11-10-6(14-7)5-1-3-9-4-2-5;/h1-4H,(H,12,13);/q;+1/p-1
InChIKeyGZKYBSPMGFNJJX-UHFFFAOYSA-M
XLogP-3.50
TPSA91.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-3.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide
CID 22432108
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318804
(2R)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 1170468
3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 6957488
methyl (2S)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
CID 7658222
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391082
S-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl) benzenecarbothioate
CID 11403334
2-[1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071529
2,2-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320792
2-(5-nitrofuran-2-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71389044
2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850834

Frequently Asked Questions

What is the IUPAC name of potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate (CID 71758263) is potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate is O=C([O-])c1nnc(-c2ccncc2)o1.[K+].
What is the InChIKey of potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is GZKYBSPMGFNJJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5N3O3.K/c12-8(13)7-11-10-6(14-7)5-1-3-9-4-2-5;/h1-4H,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate?
potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 229.24 g/mol, XLogP of -3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 71758263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).