2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid

C19H13N5O5 — CID 139069404

IUPAC2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1cccnc1C(=O)O.c1cc(-c2nnc(-c3ccncc3)o2)ccn1
InChIInChI=1S/C12H8N4O.C7H5NO4/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10;9-6(10)4-2-1-3-8-5(4)7(11)12/h1-8H;1-3H,(H,9,10)(H,11,12)
InChIKeyCTFCXKTUOLOLOU-UHFFFAOYSA-N
MW391.34 g/mol
LogP2.67
Rot. Bonds4

About 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid

2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid (PubChem CID 139069404) has the molecular formula C19H13N5O5 and a molecular weight of 391.34 g/mol. Its IUPAC name is 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid
PubChem CID139069404
Molecular FormulaC19H13N5O5
Molecular Weight391.34 g/mol
Exact Mass391.09
IUPAC Name2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1cccnc1C(=O)O.c1cc(-c2nnc(-c3ccncc3)o2)ccn1
InChIInChI=1S/C12H8N4O.C7H5NO4/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10;9-6(10)4-2-1-3-8-5(4)7(11)12/h1-8H;1-3H,(H,9,10)(H,11,12)
InChIKeyCTFCXKTUOLOLOU-UHFFFAOYSA-N
XLogP2.67
TPSA152.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-Methylpyridin-2-yl)-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
CID 56743851
2-Pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92577770
2-[2-(3-Carboxypyridine-2-carbonyl)oxycarbonylpyridine-3-carbonyl]oxycarbonylpyridine-3-carboxylic acid
CID 57058294
2-[2-(2-Carboxypyridine-3-carbonyl)oxycarbonylpyridine-3-carbonyl]oxycarbonylpyridine-3-carboxylic acid
CID 57309166
2-(3-Carboxypyridine-2-carbonyl)oxycarbonylpyridine-3-carboxylic acid
CID 21114950
2-(5-Methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 68721819
5-Fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylic acid
CID 132025027
Methyl 5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate
CID 132025029
5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
CID 150492556
[4-(5-Fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol
CID 167518296
2-[5-Fluoro-4-(5-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 167518399
Bis(5-methyl-1,3,4-oxadiazol-2-yl)pyridine
CID 129875905

Frequently Asked Questions

What is the IUPAC name of 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid?
The IUPAC name of 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid (CID 139069404) is 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid is O=C(O)c1cccnc1C(=O)O.c1cc(-c2nnc(-c3ccncc3)o2)ccn1.
What is the InChIKey of 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid?
The InChIKey is CTFCXKTUOLOLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O.C7H5NO4/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10;9-6(10)4-2-1-3-8-5(4)7(11)12/h1-8H;1-3H,(H,9,10)(H,11,12).
What are the key properties of 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid?
2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid has a molecular weight of 391.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipyridin-4-yl-1,3,4-oxadiazole;pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 139069404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).