CID 89344268

C6H7BNO — CID 89344268

IUPAC—
SMILESC[B]c1ncccc1O
InChIInChI=1S/C6H7BNO/c1-7-6-5(9)3-2-4-8-6/h2-4,9H,1H3
InChIKeyGFIJVTAWHGVWDM-UHFFFAOYSA-N
MW119.94 g/mol
LogP0.16
Rot. Bonds1

About CID 89344268

CID 89344268 (PubChem CID 89344268) has the molecular formula C6H7BNO and a molecular weight of 119.94 g/mol.

Molecular Properties

Compound NameCID 89344268
PubChem CID89344268
Molecular FormulaC6H7BNO
Molecular Weight119.94 g/mol
Exact Mass120.06
IUPAC Name—
SMILESC[B]c1ncccc1O
InChIInChI=1S/C6H7BNO/c1-7-6-5(9)3-2-4-8-6/h2-4,9H,1H3
InChIKeyGFIJVTAWHGVWDM-UHFFFAOYSA-N
XLogP0.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.94
LogP ≤ 50.16
H-Bond Donors ≤ 51
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 89344268?
The IUPAC name of CID 89344268 (CID 89344268) is not available.
What is the SMILES notation for CID 89344268?
The canonical SMILES for CID 89344268 is C[B]c1ncccc1O.
What is the InChIKey of CID 89344268?
The InChIKey is GFIJVTAWHGVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BNO/c1-7-6-5(9)3-2-4-8-6/h2-4,9H,1H3.
What are the key properties of CID 89344268?
CID 89344268 has a molecular weight of 119.94 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89344268 is sourced from PubChem (CID 89344268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).