[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine

C8H5ClN4O — CID 145143003

IUPAC[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine
SMILES[H]/N=C/c1noc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C8H5ClN4O/c9-6-3-1-2-5(11-6)8-12-7(4-10)13-14-8/h1-4,10H/b10-4+
InChIKeySTVGPGNKRRXOIM-ONNFQVAWSA-N
MW208.61 g/mol
LogP1.78
Rot. Bonds2

About [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine

[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine (PubChem CID 145143003) has the molecular formula C8H5ClN4O and a molecular weight of 208.61 g/mol. Its IUPAC name is [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine.

Molecular Properties

Compound Name[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine
PubChem CID145143003
Molecular FormulaC8H5ClN4O
Molecular Weight208.61 g/mol
Exact Mass208.02
IUPAC Name[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine
SMILES[H]/N=C/c1noc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C8H5ClN4O/c9-6-3-1-2-5(11-6)8-12-7(4-10)13-14-8/h1-4,10H/b10-4+
InChIKeySTVGPGNKRRXOIM-ONNFQVAWSA-N
XLogP1.78
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine?
The IUPAC name of [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine (CID 145143003) is [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine.
What is the SMILES notation for [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine?
The canonical SMILES for [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine is [H]/N=C/c1noc(-c2cccc(Cl)n2)n1.
What is the InChIKey of [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine?
The InChIKey is STVGPGNKRRXOIM-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H5ClN4O/c9-6-3-1-2-5(11-6)8-12-7(4-10)13-14-8/h1-4,10H/b10-4+.
What are the key properties of [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine?
[5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine has a molecular weight of 208.61 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-chloro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methanimine is sourced from PubChem (CID 145143003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).