2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole

C9H8ClN3O — CID 162416554

IUPAC2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cc2ccc(Cl)cn2)o1
InChIInChI=1S/C9H8ClN3O/c1-6-12-13-9(14-6)4-8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3
InChIKeySWNACYNNCURQNV-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.02
Rot. Bonds2

About 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole

2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 162416554) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID162416554
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cc2ccc(Cl)cn2)o1
InChIInChI=1S/C9H8ClN3O/c1-6-12-13-9(14-6)4-8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3
InChIKeySWNACYNNCURQNV-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole (CID 162416554) is 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cc2ccc(Cl)cn2)o1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SWNACYNNCURQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-6-12-13-9(14-6)4-8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 209.64 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 162416554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).