5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one

C8H6ClN3O2 — CID 59526324

IUPAC5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one
SMILESCc1nc(Cl)ccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C8H6ClN3O2/c1-4-5(2-3-6(9)10-4)7-11-12-8(13)14-7/h2-3H,1H3,(H,12,13)
InChIKeyJTMXIAMPQKYYBW-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.39
Rot. Bonds1

About 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one

5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 59526324) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID59526324
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one
SMILESCc1nc(Cl)ccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C8H6ClN3O2/c1-4-5(2-3-6(9)10-4)7-11-12-8(13)14-7/h2-3H,1H3,(H,12,13)
InChIKeyJTMXIAMPQKYYBW-UHFFFAOYSA-N
XLogP1.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one (CID 59526324) is 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one is Cc1nc(Cl)ccc1-c1n[nH]c(=O)o1.
What is the InChIKey of 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is JTMXIAMPQKYYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-4-5(2-3-6(9)10-4)7-11-12-8(13)14-7/h2-3H,1H3,(H,12,13).
What are the key properties of 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one?
5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 211.61 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-methyl-3-pyridinyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 59526324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).