CID 139265768

C7H4NSe+ — CID 139265768

IUPAC—
SMILESN#Cc1ccc([Se+])cc1
InChIInChI=1S/C7H4NSe/c8-5-6-1-3-7(9)4-2-6/h1-4H/q+1
InChIKeyXRXADMQSGBXCLP-UHFFFAOYSA-N
MW181.08 g/mol
LogP0.35
Rot. Bonds

About CID 139265768

CID 139265768 (PubChem CID 139265768) has the molecular formula C7H4NSe+ and a molecular weight of 181.08 g/mol.

Molecular Properties

Compound NameCID 139265768
PubChem CID139265768
Molecular FormulaC7H4NSe+
Molecular Weight181.08 g/mol
Exact Mass181.95
IUPAC Name—
SMILESN#Cc1ccc([Se+])cc1
InChIInChI=1S/C7H4NSe/c8-5-6-1-3-7(9)4-2-6/h1-4H/q+1
InChIKeyXRXADMQSGBXCLP-UHFFFAOYSA-N
XLogP0.35
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.08
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;benzene-1,4-dicarbonitrile
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azulene-6-carbonitrile
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4-amino(13C)benzonitrile
CID 10080388
4-hydroxybenzonitrile
CID 53435365
4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
CID 122213213
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-pyridin-4-ylbenzonitrile
CID 4184629
(14N)benzonitrile
CID 102268532
CID 123450451
CID 123450451

Frequently Asked Questions

What is the IUPAC name of CID 139265768?
The IUPAC name of CID 139265768 (CID 139265768) is not available.
What is the SMILES notation for CID 139265768?
The canonical SMILES for CID 139265768 is N#Cc1ccc([Se+])cc1.
What is the InChIKey of CID 139265768?
The InChIKey is XRXADMQSGBXCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NSe/c8-5-6-1-3-7(9)4-2-6/h1-4H/q+1.
What are the key properties of CID 139265768?
CID 139265768 has a molecular weight of 181.08 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139265768 is sourced from PubChem (CID 139265768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).