CID 158064055

C6H7Cl2NOSe — CID 158064055

IUPAC—
SMILESCc1ccccn1.ClOCl.[Se]
InChIInChI=1S/C6H7N.Cl2O.Se/c1-6-4-2-3-5-7-6;1-3-2;/h2-5H,1H3;;
InChIKeyFKZXMZPXFPHTGD-UHFFFAOYSA-N
MW258.99 g/mol
LogP2.32
Rot. Bonds

About CID 158064055

CID 158064055 (PubChem CID 158064055) has the molecular formula C6H7Cl2NOSe and a molecular weight of 258.99 g/mol.

Molecular Properties

Compound NameCID 158064055
PubChem CID158064055
Molecular FormulaC6H7Cl2NOSe
Molecular Weight258.99 g/mol
Exact Mass258.91
IUPAC Name—
SMILESCc1ccccn1.ClOCl.[Se]
InChIInChI=1S/C6H7N.Cl2O.Se/c1-6-4-2-3-5-7-6;1-3-2;/h2-5H,1H3;;
InChIKeyFKZXMZPXFPHTGD-UHFFFAOYSA-N
XLogP2.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.99
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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cobalt(2+);tetrakis(2-methylpyridine);dithiocyanate
CID 3365117
2-methoxypyridine;2-methylpyridine;propane
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anthracene-9,10-dione;2-methylpyridine;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of CID 158064055?
The IUPAC name of CID 158064055 (CID 158064055) is not available.
What is the SMILES notation for CID 158064055?
The canonical SMILES for CID 158064055 is Cc1ccccn1.ClOCl.[Se].
What is the InChIKey of CID 158064055?
The InChIKey is FKZXMZPXFPHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.Cl2O.Se/c1-6-4-2-3-5-7-6;1-3-2;/h2-5H,1H3;;.
What are the key properties of CID 158064055?
CID 158064055 has a molecular weight of 258.99 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158064055 is sourced from PubChem (CID 158064055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).