CID 89283544

C5H4BFN2 — CID 89283544

IUPAC—
SMILES[B]c1cnc(F)c(N)c1
InChIInChI=1S/C5H4BFN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
InChIKeyUHEUXRZYOAFOGY-UHFFFAOYSA-N
MW121.91 g/mol
LogP-0.40
Rot. Bonds

About CID 89283544

CID 89283544 (PubChem CID 89283544) has the molecular formula C5H4BFN2 and a molecular weight of 121.91 g/mol.

Molecular Properties

Compound NameCID 89283544
PubChem CID89283544
Molecular FormulaC5H4BFN2
Molecular Weight121.91 g/mol
Exact Mass122.05
IUPAC Name—
SMILES[B]c1cnc(F)c(N)c1
InChIInChI=1S/C5H4BFN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
InChIKeyUHEUXRZYOAFOGY-UHFFFAOYSA-N
XLogP-0.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.91
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 89283544?
The IUPAC name of CID 89283544 (CID 89283544) is not available.
What is the SMILES notation for CID 89283544?
The canonical SMILES for CID 89283544 is [B]c1cnc(F)c(N)c1.
What is the InChIKey of CID 89283544?
The InChIKey is UHEUXRZYOAFOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BFN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2.
What are the key properties of CID 89283544?
CID 89283544 has a molecular weight of 121.91 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89283544 is sourced from PubChem (CID 89283544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).