CID 88543668

C9H7BN2 — CID 88543668

IUPAC—
SMILES[B]Cc1ncc2ccccc2n1
InChIInChI=1S/C9H7BN2/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h1-4,6H,5H2
InChIKeyHGUBTZZVGLJDNF-UHFFFAOYSA-N
MW153.98 g/mol
LogP1.30
Rot. Bonds1

About CID 88543668

CID 88543668 (PubChem CID 88543668) has the molecular formula C9H7BN2 and a molecular weight of 153.98 g/mol.

Molecular Properties

Compound NameCID 88543668
PubChem CID88543668
Molecular FormulaC9H7BN2
Molecular Weight153.98 g/mol
Exact Mass154.07
IUPAC Name—
SMILES[B]Cc1ncc2ccccc2n1
InChIInChI=1S/C9H7BN2/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h1-4,6H,5H2
InChIKeyHGUBTZZVGLJDNF-UHFFFAOYSA-N
XLogP1.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.98
LogP ≤ 51.30
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 88543668?
The IUPAC name of CID 88543668 (CID 88543668) is not available.
What is the SMILES notation for CID 88543668?
The canonical SMILES for CID 88543668 is [B]Cc1ncc2ccccc2n1.
What is the InChIKey of CID 88543668?
The InChIKey is HGUBTZZVGLJDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BN2/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h1-4,6H,5H2.
What are the key properties of CID 88543668?
CID 88543668 has a molecular weight of 153.98 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88543668 is sourced from PubChem (CID 88543668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).