CID 89241470

C7H5BFNO — CID 89241470

IUPAC—
SMILES[B]c1ccc(/C=N/O)c(F)c1
InChIInChI=1S/C7H5BFNO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+
InChIKeyUWFXUHZCWUJDKP-ONNFQVAWSA-N
MW148.93 g/mol
LogP0.43
Rot. Bonds1

About CID 89241470

CID 89241470 (PubChem CID 89241470) has the molecular formula C7H5BFNO and a molecular weight of 148.93 g/mol.

Molecular Properties

Compound NameCID 89241470
PubChem CID89241470
Molecular FormulaC7H5BFNO
Molecular Weight148.93 g/mol
Exact Mass149.04
IUPAC Name—
SMILES[B]c1ccc(/C=N/O)c(F)c1
InChIInChI=1S/C7H5BFNO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+
InChIKeyUWFXUHZCWUJDKP-ONNFQVAWSA-N
XLogP0.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.93
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 89241470?
The IUPAC name of CID 89241470 (CID 89241470) is not available.
What is the SMILES notation for CID 89241470?
The canonical SMILES for CID 89241470 is [B]c1ccc(/C=N/O)c(F)c1.
What is the InChIKey of CID 89241470?
The InChIKey is UWFXUHZCWUJDKP-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5BFNO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+.
What are the key properties of CID 89241470?
CID 89241470 has a molecular weight of 148.93 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89241470 is sourced from PubChem (CID 89241470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).