5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde

C8H5N3O2 — CID 21031007

IUPAC5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=Cc1nnc(-c2cccnc2)o1
InChIInChI=1S/C8H5N3O2/c12-5-7-10-11-8(13-7)6-2-1-3-9-4-6/h1-5H
InChIKeyCCXQOOAIWNSYNE-UHFFFAOYSA-N
MW175.15 g/mol
LogP0.94
Rot. Bonds2

About 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde

5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde (PubChem CID 21031007) has the molecular formula C8H5N3O2 and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
PubChem CID21031007
Molecular FormulaC8H5N3O2
Molecular Weight175.15 g/mol
Exact Mass175.04
IUPAC Name5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=Cc1nnc(-c2cccnc2)o1
InChIInChI=1S/C8H5N3O2/c12-5-7-10-11-8(13-7)6-2-1-3-9-4-6/h1-5H
InChIKeyCCXQOOAIWNSYNE-UHFFFAOYSA-N
XLogP0.94
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate
CID 174693018
2-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054875
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
CID 25054362
2-pyridin-3-yl-1,3-oxazole-4-carbaldehyde
CID 115083655
2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25055628
N,N-dimethyl-4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)aniline
CID 865622
2-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 53017502
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 24776451
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanol
CID 3219549
3-pyridin-3-ylfuran-2-carbaldehyde
CID 106886416

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde?
The IUPAC name of 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde (CID 21031007) is 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde.
What is the SMILES notation for 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde?
The canonical SMILES for 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde is O=Cc1nnc(-c2cccnc2)o1.
What is the InChIKey of 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde?
The InChIKey is CCXQOOAIWNSYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2/c12-5-7-10-11-8(13-7)6-2-1-3-9-4-6/h1-5H.
What are the key properties of 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde?
5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde has a molecular weight of 175.15 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde is sourced from PubChem (CID 21031007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).