2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one

C12H8N2O2Se — CID 13277178

IUPAC2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ncccc1O
InChIInChI=1S/C12H8N2O2Se/c15-9-5-3-7-13-11(9)14-12(16)8-4-1-2-6-10(8)17-14/h1-7,15H
InChIKeyBYDOTJMKOMWDQU-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.15
Rot. Bonds1

About 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one

2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one (PubChem CID 13277178) has the molecular formula C12H8N2O2Se and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one
PubChem CID13277178
Molecular FormulaC12H8N2O2Se
Molecular Weight291.17 g/mol
Exact Mass291.98
IUPAC Name2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ncccc1O
InChIInChI=1S/C12H8N2O2Se/c15-9-5-3-7-13-11(9)14-12(16)8-4-1-2-6-10(8)17-14/h1-7,15H
InChIKeyBYDOTJMKOMWDQU-UHFFFAOYSA-N
XLogP1.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one (CID 13277178) is 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1-c1ncccc1O.
What is the InChIKey of 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one?
The InChIKey is BYDOTJMKOMWDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2Se/c15-9-5-3-7-13-11(9)14-12(16)8-4-1-2-6-10(8)17-14/h1-7,15H.
What are the key properties of 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one?
2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one has a molecular weight of 291.17 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-pyridinyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 13277178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).