2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one

C13H7F3N2OSe — CID 18610989

IUPAC2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccc(C(F)(F)F)cc2[se]n1-c1ccccn1
InChIInChI=1S/C13H7F3N2OSe/c14-13(15,16)8-4-5-9-10(7-8)20-18(12(9)19)11-3-1-2-6-17-11/h1-7H
InChIKeyZIGXLHRBPQSDHS-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.46
Rot. Bonds1

About 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one

2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one (PubChem CID 18610989) has the molecular formula C13H7F3N2OSe and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one
PubChem CID18610989
Molecular FormulaC13H7F3N2OSe
Molecular Weight343.17 g/mol
Exact Mass343.97
IUPAC Name2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccc(C(F)(F)F)cc2[se]n1-c1ccccn1
InChIInChI=1S/C13H7F3N2OSe/c14-13(15,16)8-4-5-9-10(7-8)20-18(12(9)19)11-3-1-2-6-17-11/h1-7H
InChIKeyZIGXLHRBPQSDHS-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one (CID 18610989) is 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one is O=c1c2ccc(C(F)(F)F)cc2[se]n1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one?
The InChIKey is ZIGXLHRBPQSDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2OSe/c14-13(15,16)8-4-5-9-10(7-8)20-18(12(9)19)11-3-1-2-6-17-11/h1-7H.
What are the key properties of 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one?
2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one has a molecular weight of 343.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-(trifluoromethyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 18610989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).