CID 88913467

C14H9BN2 — CID 88913467

IUPAC—
SMILES[B]c1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H9BN2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyQNYDGGNLOAUKRV-UHFFFAOYSA-N
MW216.05 g/mol
LogP2.09
Rot. Bonds1

About CID 88913467

CID 88913467 (PubChem CID 88913467) has the molecular formula C14H9BN2 and a molecular weight of 216.05 g/mol.

Molecular Properties

Compound NameCID 88913467
PubChem CID88913467
Molecular FormulaC14H9BN2
Molecular Weight216.05 g/mol
Exact Mass216.09
IUPAC Name—
SMILES[B]c1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H9BN2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyQNYDGGNLOAUKRV-UHFFFAOYSA-N
XLogP2.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 88913467?
The IUPAC name of CID 88913467 (CID 88913467) is not available.
What is the SMILES notation for CID 88913467?
The canonical SMILES for CID 88913467 is [B]c1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of CID 88913467?
The InChIKey is QNYDGGNLOAUKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BN2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H.
What are the key properties of CID 88913467?
CID 88913467 has a molecular weight of 216.05 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88913467 is sourced from PubChem (CID 88913467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).