2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole

C9H7Cl2N3O — CID 66463788

IUPAC2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2ccncc2Cl)o1
InChIInChI=1S/C9H7Cl2N3O/c10-3-1-8-13-14-9(15-8)6-2-4-12-5-7(6)11/h2,4-5H,1,3H2
InChIKeyBCCHRIDXWLQYMY-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 66463788) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID66463788
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2ccncc2Cl)o1
InChIInChI=1S/C9H7Cl2N3O/c10-3-1-8-13-14-9(15-8)6-2-4-12-5-7(6)11/h2,4-5H,1,3H2
InChIKeyBCCHRIDXWLQYMY-UHFFFAOYSA-N
XLogP2.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 130516109
N-[[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 66474905
2-(3-chloropropyl)-5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
CID 64950082
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 43513256
3-[5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 64955725
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
1-[5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 66473095
2-(2-chloroethyl)-5-(2,6-dimethyl-3-pyridinyl)-1,3,4-oxadiazole
CID 62830773
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 65307879

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole (CID 66463788) is 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole is ClCCc1nnc(-c2ccncc2Cl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is BCCHRIDXWLQYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-3-1-8-13-14-9(15-8)6-2-4-12-5-7(6)11/h2,4-5H,1,3H2.
What are the key properties of 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 244.08 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(3-chloro-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 66463788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).