2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole

C10H10ClN3O — CID 43513255

IUPAC2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CCCl)o2)cn1
InChIInChI=1S/C10H10ClN3O/c1-7-2-3-8(6-12-7)10-14-13-9(15-10)4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyYPVCDLNCAIZIJV-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 43513255) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID43513255
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CCCl)o2)cn1
InChIInChI=1S/C10H10ClN3O/c1-7-2-3-8(6-12-7)10-14-13-9(15-10)4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyYPVCDLNCAIZIJV-UHFFFAOYSA-N
XLogP2.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.22
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-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069885
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-(2-chloroethyl)-5-(2,6-dimethyl-3-pyridinyl)-1,3,4-oxadiazole
CID 62830773
2-(3-chloropropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 43513385
2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 106752784
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole (CID 43513255) is 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(CCCl)o2)cn1.
What is the InChIKey of 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is YPVCDLNCAIZIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7-2-3-8(6-12-7)10-14-13-9(15-10)4-5-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 223.66 g/mol, XLogP of 2.22, 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-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43513255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).