CID 90668195

C8H7BrN3Se — CID 90668195

IUPAC—
SMILESN/C([Se])=N/N=C/c1cccc(Br)c1
InChIInChI=1S/C8H7BrN3Se/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H2,10,12)/b11-5+
InChIKeyIVBGHNIALOVWPW-VZUCSPMQSA-N
MW304.03 g/mol
LogP1.27
Rot. Bonds2

About CID 90668195

CID 90668195 (PubChem CID 90668195) has the molecular formula C8H7BrN3Se and a molecular weight of 304.03 g/mol.

Molecular Properties

Compound NameCID 90668195
PubChem CID90668195
Molecular FormulaC8H7BrN3Se
Molecular Weight304.03 g/mol
Exact Mass303.90
IUPAC Name—
SMILESN/C([Se])=N/N=C/c1cccc(Br)c1
InChIInChI=1S/C8H7BrN3Se/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H2,10,12)/b11-5+
InChIKeyIVBGHNIALOVWPW-VZUCSPMQSA-N
XLogP1.27
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.03
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 90668195?
The IUPAC name of CID 90668195 (CID 90668195) is not available.
What is the SMILES notation for CID 90668195?
The canonical SMILES for CID 90668195 is N/C([Se])=N/N=C/c1cccc(Br)c1.
What is the InChIKey of CID 90668195?
The InChIKey is IVBGHNIALOVWPW-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7BrN3Se/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H2,10,12)/b11-5+.
What are the key properties of CID 90668195?
CID 90668195 has a molecular weight of 304.03 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90668195 is sourced from PubChem (CID 90668195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).