2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole

C13H5ClF3N5O — CID 71556858

IUPAC2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(Cl)nc2c1ccc1nc(-c3nnco3)cn12
InChIInChI=1S/C13H5ClF3N5O/c14-9-3-7(13(15,16)17)6-1-2-10-19-8(12-21-18-5-23-12)4-22(10)11(6)20-9/h1-5H
InChIKeyXSRCLMHZKWWMMN-UHFFFAOYSA-N
MW339.66 g/mol
LogP3.60
Rot. Bonds1

About 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole

2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole (PubChem CID 71556858) has the molecular formula C13H5ClF3N5O and a molecular weight of 339.66 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
PubChem CID71556858
Molecular FormulaC13H5ClF3N5O
Molecular Weight339.66 g/mol
Exact Mass339.01
IUPAC Name2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(Cl)nc2c1ccc1nc(-c3nnco3)cn12
InChIInChI=1S/C13H5ClF3N5O/c14-9-3-7(13(15,16)17)6-1-2-10-19-8(12-21-18-5-23-12)4-22(10)11(6)20-9/h1-5H
InChIKeyXSRCLMHZKWWMMN-UHFFFAOYSA-N
XLogP3.60
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole (CID 71556858) is 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole is FC(F)(F)c1cc(Cl)nc2c1ccc1nc(-c3nnco3)cn12.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The InChIKey is XSRCLMHZKWWMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF3N5O/c14-9-3-7(13(15,16)17)6-1-2-10-19-8(12-21-18-5-23-12)4-22(10)11(6)20-9/h1-5H.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole has a molecular weight of 339.66 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 71556858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).