CID 174032147

C6H5BFN — CID 174032147

IUPAC—
SMILES[B]c1cc(C)nc(F)c1
InChIInChI=1S/C6H5BFN/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
InChIKeyUIOBWMGVFBNGEH-UHFFFAOYSA-N
MW120.92 g/mol
LogP0.32
Rot. Bonds

About CID 174032147

CID 174032147 (PubChem CID 174032147) has the molecular formula C6H5BFN and a molecular weight of 120.92 g/mol.

Molecular Properties

Compound NameCID 174032147
PubChem CID174032147
Molecular FormulaC6H5BFN
Molecular Weight120.92 g/mol
Exact Mass121.05
IUPAC Name—
SMILES[B]c1cc(C)nc(F)c1
InChIInChI=1S/C6H5BFN/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
InChIKeyUIOBWMGVFBNGEH-UHFFFAOYSA-N
XLogP0.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.92
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174032147?
The IUPAC name of CID 174032147 (CID 174032147) is not available.
What is the SMILES notation for CID 174032147?
The canonical SMILES for CID 174032147 is [B]c1cc(C)nc(F)c1.
What is the InChIKey of CID 174032147?
The InChIKey is UIOBWMGVFBNGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BFN/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3.
What are the key properties of CID 174032147?
CID 174032147 has a molecular weight of 120.92 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174032147 is sourced from PubChem (CID 174032147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).