CID 167501193

C9H8BFN2O2 — CID 167501193

IUPAC—
SMILES[B]c1cc(F)cc(NC(=O)/C=N/O)c1C
InChIInChI=1S/C9H8BFN2O2/c1-5-7(10)2-6(11)3-8(5)13-9(14)4-12-15/h2-4,15H,1H3,(H,13,14)/b12-4+
InChIKeyRQLISQFPCFVZLI-UUILKARUSA-N
MW205.99 g/mol
LogP0.33
Rot. Bonds2

About CID 167501193

CID 167501193 (PubChem CID 167501193) has the molecular formula C9H8BFN2O2 and a molecular weight of 205.99 g/mol.

Molecular Properties

Compound NameCID 167501193
PubChem CID167501193
Molecular FormulaC9H8BFN2O2
Molecular Weight205.99 g/mol
Exact Mass206.07
IUPAC Name—
SMILES[B]c1cc(F)cc(NC(=O)/C=N/O)c1C
InChIInChI=1S/C9H8BFN2O2/c1-5-7(10)2-6(11)3-8(5)13-9(14)4-12-15/h2-4,15H,1H3,(H,13,14)/b12-4+
InChIKeyRQLISQFPCFVZLI-UUILKARUSA-N
XLogP0.33
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.99
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze CID 167501193 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 167501193?
The IUPAC name of CID 167501193 (CID 167501193) is not available.
What is the SMILES notation for CID 167501193?
The canonical SMILES for CID 167501193 is [B]c1cc(F)cc(NC(=O)/C=N/O)c1C.
What is the InChIKey of CID 167501193?
The InChIKey is RQLISQFPCFVZLI-UUILKARUSA-N. The full InChI is InChI=1S/C9H8BFN2O2/c1-5-7(10)2-6(11)3-8(5)13-9(14)4-12-15/h2-4,15H,1H3,(H,13,14)/b12-4+.
What are the key properties of CID 167501193?
CID 167501193 has a molecular weight of 205.99 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167501193 is sourced from PubChem (CID 167501193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).