CID 88529992

C11H8BN — CID 88529992

IUPAC—
SMILES[B]c1cccc(-c2ccccn2)c1
InChIInChI=1S/C11H8BN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H
InChIKeyUACWEALHOYETFV-UHFFFAOYSA-N
MW165.00 g/mol
LogP1.54
Rot. Bonds1

About CID 88529992

CID 88529992 (PubChem CID 88529992) has the molecular formula C11H8BN and a molecular weight of 165.00 g/mol.

Molecular Properties

Compound NameCID 88529992
PubChem CID88529992
Molecular FormulaC11H8BN
Molecular Weight165.00 g/mol
Exact Mass165.07
IUPAC Name—
SMILES[B]c1cccc(-c2ccccn2)c1
InChIInChI=1S/C11H8BN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H
InChIKeyUACWEALHOYETFV-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'}

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Related Compounds

2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
CID 88530161
CID 88530161
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium
CID 158235449
3-pyridin-2-ylbenzoate
CID 7020368
(3-pyridin-2-ylphenyl) hypoiodite
CID 143814721
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
2-[3-[2-[4-[2-(3-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]phenyl]pyridine
CID 101246219

Frequently Asked Questions

What is the IUPAC name of CID 88529992?
The IUPAC name of CID 88529992 (CID 88529992) is not available.
What is the SMILES notation for CID 88529992?
The canonical SMILES for CID 88529992 is [B]c1cccc(-c2ccccn2)c1.
What is the InChIKey of CID 88529992?
The InChIKey is UACWEALHOYETFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H.
What are the key properties of CID 88529992?
CID 88529992 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 88529992 is sourced from PubChem (CID 88529992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).