1,3-benzoselenazole-2-selenol

C7H5NSe2 — CID 154089548

IUPAC1,3-benzoselenazole-2-selenol
SMILES[SeH]c1nc2ccccc2[se]1
InChIInChI=1S/C7H5NSe2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKeyLBLRYCCHCRTLRE-UHFFFAOYSA-N
MW261.04 g/mol
LogP-0.18
Rot. Bonds

About 1,3-benzoselenazole-2-selenol

1,3-benzoselenazole-2-selenol (PubChem CID 154089548) has the molecular formula C7H5NSe2 and a molecular weight of 261.04 g/mol. Its IUPAC name is 1,3-benzoselenazole-2-selenol.

Molecular Properties

Compound Name1,3-benzoselenazole-2-selenol
PubChem CID154089548
Molecular FormulaC7H5NSe2
Molecular Weight261.04 g/mol
Exact Mass262.88
IUPAC Name1,3-benzoselenazole-2-selenol
SMILES[SeH]c1nc2ccccc2[se]1
InChIInChI=1S/C7H5NSe2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKeyLBLRYCCHCRTLRE-UHFFFAOYSA-N
XLogP-0.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.04
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,3-benzoselenazole-2-selenol?
The IUPAC name of 1,3-benzoselenazole-2-selenol (CID 154089548) is 1,3-benzoselenazole-2-selenol.
What is the SMILES notation for 1,3-benzoselenazole-2-selenol?
The canonical SMILES for 1,3-benzoselenazole-2-selenol is [SeH]c1nc2ccccc2[se]1.
What is the InChIKey of 1,3-benzoselenazole-2-selenol?
The InChIKey is LBLRYCCHCRTLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NSe2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9).
What are the key properties of 1,3-benzoselenazole-2-selenol?
1,3-benzoselenazole-2-selenol has a molecular weight of 261.04 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoselenazole-2-selenol is sourced from PubChem (CID 154089548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).