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

C9H8ClN3O — CID 62340991

IUPAC2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cccnc1-c1nnc(CCl)o1
InChIInChI=1S/C9H8ClN3O/c1-6-3-2-4-11-8(6)9-13-12-7(5-10)14-9/h2-4H,5H2,1H3
InChIKeyNKZBVIOPZJIKQX-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.18
Rot. Bonds2

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

2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 62340991) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
PubChem CID62340991
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESCc1cccnc1-c1nnc(CCl)o1
InChIInChI=1S/C9H8ClN3O/c1-6-3-2-4-11-8(6)9-13-12-7(5-10)14-9/h2-4H,5H2,1H3
InChIKeyNKZBVIOPZJIKQX-UHFFFAOYSA-N
XLogP2.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.18
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

[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62339836
2-methyl-N-[3-[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
CID 62340684
2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 131123776
2-(chloromethyl)-5-quinolin-5-yl-1,3,4-oxadiazole
CID 62849537
2-(chloromethyl)-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 16789153
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
3-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 118391610
4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-oxido-1,2,5-oxadiazol-2-ium
CID 139229250
2-(chloromethyl)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
CID 135778970
1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 63305449
2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 130516109
[5-(3-methyl-2-pyridinyl)furan-2-yl]methanol
CID 15081314

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole (CID 62340991) is 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole is Cc1cccnc1-c1nnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is NKZBVIOPZJIKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-6-3-2-4-11-8(6)9-13-12-7(5-10)14-9/h2-4H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 209.64 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 62340991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).