CID 167645226

C10H11B6N3 — CID 167645226

IUPAC—
SMILES[B]B([B])B([B])[B].[N-]=[N+]=NC1CCCc2ccccc21
InChIInChI=1S/C10H11N3.B6/c11-13-12-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2)6(3)4/h1-2,4,6,10H,3,5,7H2;
InChIKeyYQLGSDWOUSWYDT-UHFFFAOYSA-N
MW238.09 g/mol
LogP1.09
Rot. Bonds2

About CID 167645226

CID 167645226 (PubChem CID 167645226) has the molecular formula C10H11B6N3 and a molecular weight of 238.09 g/mol.

Molecular Properties

Compound NameCID 167645226
PubChem CID167645226
Molecular FormulaC10H11B6N3
Molecular Weight238.09 g/mol
Exact Mass239.15
IUPAC Name—
SMILES[B]B([B])B([B])[B].[N-]=[N+]=NC1CCCc2ccccc21
InChIInChI=1S/C10H11N3.B6/c11-13-12-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2)6(3)4/h1-2,4,6,10H,3,5,7H2;
InChIKeyYQLGSDWOUSWYDT-UHFFFAOYSA-N
XLogP1.09
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 167645226?
The IUPAC name of CID 167645226 (CID 167645226) is not available.
What is the SMILES notation for CID 167645226?
The canonical SMILES for CID 167645226 is [B]B([B])B([B])[B].[N-]=[N+]=NC1CCCc2ccccc21.
What is the InChIKey of CID 167645226?
The InChIKey is YQLGSDWOUSWYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.B6/c11-13-12-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2)6(3)4/h1-2,4,6,10H,3,5,7H2;.
What are the key properties of CID 167645226?
CID 167645226 has a molecular weight of 238.09 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167645226 is sourced from PubChem (CID 167645226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).