CID 88530161

C11H8BN — CID 88530161

IUPAC—
SMILES[B]c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C11H8BN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
InChIKeyYGARBXGQDFWBOV-UHFFFAOYSA-N
MW165.00 g/mol
LogP1.54
Rot. Bonds1

About CID 88530161

CID 88530161 (PubChem CID 88530161) has the molecular formula C11H8BN and a molecular weight of 165.00 g/mol.

Molecular Properties

Compound NameCID 88530161
PubChem CID88530161
Molecular FormulaC11H8BN
Molecular Weight165.00 g/mol
Exact Mass165.07
IUPAC Name—
SMILES[B]c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C11H8BN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
InChIKeyYGARBXGQDFWBOV-UHFFFAOYSA-N
XLogP1.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.00
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 88530161 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)pyridine;silver
CID 121395993
CID 88529992
CID 88529992
hydrazine;2-phenylpyridine
CID 158673997
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113

Frequently Asked Questions

What is the IUPAC name of CID 88530161?
The IUPAC name of CID 88530161 (CID 88530161) is not available.
What is the SMILES notation for CID 88530161?
The canonical SMILES for CID 88530161 is [B]c1ccc(-c2ccccn2)cc1.
What is the InChIKey of CID 88530161?
The InChIKey is YGARBXGQDFWBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H.
What are the key properties of CID 88530161?
CID 88530161 has a molecular weight of 165.00 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88530161 is sourced from PubChem (CID 88530161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).