CID 6338310

C10H8BN2+ — CID 6338310

IUPAC—
SMILES[B-]1[n+]2ccccc2-c2cccc[n+]21
InChIInChI=1S/C10H8BN2/c1-3-7-12-9(5-1)10-6-2-4-8-13(10)11-12/h1-8H/q+1
InChIKeyLAQCNZHXXNHICJ-UHFFFAOYSA-N
MW167.00 g/mol
LogP0.17
Rot. Bonds

About CID 6338310

CID 6338310 (PubChem CID 6338310) has the molecular formula C10H8BN2+ and a molecular weight of 167.00 g/mol.

Molecular Properties

Compound NameCID 6338310
PubChem CID6338310
Molecular FormulaC10H8BN2+
Molecular Weight167.00 g/mol
Exact Mass167.08
IUPAC Name—
SMILES[B-]1[n+]2ccccc2-c2cccc[n+]21
InChIInChI=1S/C10H8BN2/c1-3-7-12-9(5-1)10-6-2-4-8-13(10)11-12/h1-8H/q+1
InChIKeyLAQCNZHXXNHICJ-UHFFFAOYSA-N
XLogP0.17
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.00
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 CID 6338310?
The IUPAC name of CID 6338310 (CID 6338310) is not available.
What is the SMILES notation for CID 6338310?
The canonical SMILES for CID 6338310 is [B-]1[n+]2ccccc2-c2cccc[n+]21.
What is the InChIKey of CID 6338310?
The InChIKey is LAQCNZHXXNHICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BN2/c1-3-7-12-9(5-1)10-6-2-4-8-13(10)11-12/h1-8H/q+1.
What are the key properties of CID 6338310?
CID 6338310 has a molecular weight of 167.00 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6338310 is sourced from PubChem (CID 6338310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).