CID 88936778

C10H5BN2 — CID 88936778

IUPAC—
SMILES[B]c1ccc2nc(C#N)ccc2c1
InChIInChI=1S/C10H5BN2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-5H
InChIKeyWOZYJRAQRRXKHA-UHFFFAOYSA-N
MW163.98 g/mol
LogP0.90
Rot. Bonds

About CID 88936778

CID 88936778 (PubChem CID 88936778) has the molecular formula C10H5BN2 and a molecular weight of 163.98 g/mol.

Molecular Properties

Compound NameCID 88936778
PubChem CID88936778
Molecular FormulaC10H5BN2
Molecular Weight163.98 g/mol
Exact Mass164.05
IUPAC Name—
SMILES[B]c1ccc2nc(C#N)ccc2c1
InChIInChI=1S/C10H5BN2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-5H
InChIKeyWOZYJRAQRRXKHA-UHFFFAOYSA-N
XLogP0.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.98
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tacrine
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Quinoline
CID 7047
Acridine
CID 9215
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
9-Aminoacridine hydrochloride
CID 8643
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
4-Amino-2-methylquinoline
CID 81116
2-Methylquinolin-6-amine
CID 103148
2,4-Dimethylquinoline
CID 14536

Frequently Asked Questions

What is the IUPAC name of CID 88936778?
The IUPAC name of CID 88936778 (CID 88936778) is not available.
What is the SMILES notation for CID 88936778?
The canonical SMILES for CID 88936778 is [B]c1ccc2nc(C#N)ccc2c1.
What is the InChIKey of CID 88936778?
The InChIKey is WOZYJRAQRRXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BN2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-5H.
What are the key properties of CID 88936778?
CID 88936778 has a molecular weight of 163.98 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88936778 is sourced from PubChem (CID 88936778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).