5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C12H7ClN4O — CID 30028861

IUPAC5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccn3)no2)cn1
InChIInChI=1S/C12H7ClN4O/c13-10-5-4-8(7-15-10)12-16-11(17-18-12)9-3-1-2-6-14-9/h1-7H
InChIKeyXFPMOUQQPUQZLP-UHFFFAOYSA-N
MW258.67 g/mol
LogP2.85
Rot. Bonds2

About 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 30028861) has the molecular formula C12H7ClN4O and a molecular weight of 258.67 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID30028861
Molecular FormulaC12H7ClN4O
Molecular Weight258.67 g/mol
Exact Mass258.03
IUPAC Name5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccccn3)no2)cn1
InChIInChI=1S/C12H7ClN4O/c13-10-5-4-8(7-15-10)12-16-11(17-18-12)9-3-1-2-6-14-9/h1-7H
InChIKeyXFPMOUQQPUQZLP-UHFFFAOYSA-N
XLogP2.85
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.67
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 867097
5-[4-[(2-chlorophenyl)methoxy]phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 8814544
5-(6-chloro-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1472030
1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769891
5-(6-chloro-3-pyridinyl)-3-(2,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97057991
[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
CID 99839573

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 30028861) is 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3ccccn3)no2)cn1.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is XFPMOUQQPUQZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4O/c13-10-5-4-8(7-15-10)12-16-11(17-18-12)9-3-1-2-6-14-9/h1-7H.
What are the key properties of 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 258.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 30028861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).