2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C11H8ClF3N4O2 — CID 86712495

IUPAC2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)o1
InChIInChI=1S/C11H8ClF3N4O2/c1-2-7-18-19-10(21-7)17-9(20)5-3-4-6(11(13,14)15)16-8(5)12/h3-4H,2H2,1H3,(H,17,19,20)
InChIKeyGVBORAOENKZYSM-UHFFFAOYSA-N
MW320.66 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86712495) has the molecular formula C11H8ClF3N4O2 and a molecular weight of 320.66 g/mol. Its IUPAC name is 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86712495
Molecular FormulaC11H8ClF3N4O2
Molecular Weight320.66 g/mol
Exact Mass320.03
IUPAC Name2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)o1
InChIInChI=1S/C11H8ClF3N4O2/c1-2-7-18-19-10(21-7)17-9(20)5-3-4-6(11(13,14)15)16-8(5)12/h3-4H,2H2,1H3,(H,17,19,20)
InChIKeyGVBORAOENKZYSM-UHFFFAOYSA-N
XLogP2.95
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 86712495) is 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2Cl)o1.
What is the InChIKey of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GVBORAOENKZYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O2/c1-2-7-18-19-10(21-7)17-9(20)5-3-4-6(11(13,14)15)16-8(5)12/h3-4H,2H2,1H3,(H,17,19,20).
What are the key properties of 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 320.66 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86712495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).