CID 156650932

C15H9BFN3 — CID 156650932

IUPAC—
SMILES[B]c1cnn(C)c1-c1c(F)cc2ccccc2c1C#N
InChIInChI=1S/C15H9BFN3/c1-20-15(12(16)8-19-20)14-11(7-18)10-5-3-2-4-9(10)6-13(14)17/h2-6,8H,1H3
InChIKeyLOFCYICTAUZBHN-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.04
Rot. Bonds1

About CID 156650932

CID 156650932 (PubChem CID 156650932) has the molecular formula C15H9BFN3 and a molecular weight of 261.07 g/mol.

Molecular Properties

Compound NameCID 156650932
PubChem CID156650932
Molecular FormulaC15H9BFN3
Molecular Weight261.07 g/mol
Exact Mass261.09
IUPAC Name—
SMILES[B]c1cnn(C)c1-c1c(F)cc2ccccc2c1C#N
InChIInChI=1S/C15H9BFN3/c1-20-15(12(16)8-19-20)14-11(7-18)10-5-3-2-4-9(10)6-13(14)17/h2-6,8H,1H3
InChIKeyLOFCYICTAUZBHN-UHFFFAOYSA-N
XLogP2.04
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 156650932?
The IUPAC name of CID 156650932 (CID 156650932) is not available.
What is the SMILES notation for CID 156650932?
The canonical SMILES for CID 156650932 is [B]c1cnn(C)c1-c1c(F)cc2ccccc2c1C#N.
What is the InChIKey of CID 156650932?
The InChIKey is LOFCYICTAUZBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BFN3/c1-20-15(12(16)8-19-20)14-11(7-18)10-5-3-2-4-9(10)6-13(14)17/h2-6,8H,1H3.
What are the key properties of CID 156650932?
CID 156650932 has a molecular weight of 261.07 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156650932 is sourced from PubChem (CID 156650932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).