CID 163487425

C6H6BFN2 — CID 163487425

IUPAC—
SMILES[B]c1ccc(NN)c(F)c1
InChIInChI=1S/C6H6BFN2/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H,9H2
InChIKeyMPOALPVFRODVNH-UHFFFAOYSA-N
MW135.94 g/mol
LogP-0.09
Rot. Bonds1

About CID 163487425

CID 163487425 (PubChem CID 163487425) has the molecular formula C6H6BFN2 and a molecular weight of 135.94 g/mol.

Molecular Properties

Compound NameCID 163487425
PubChem CID163487425
Molecular FormulaC6H6BFN2
Molecular Weight135.94 g/mol
Exact Mass136.06
IUPAC Name—
SMILES[B]c1ccc(NN)c(F)c1
InChIInChI=1S/C6H6BFN2/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H,9H2
InChIKeyMPOALPVFRODVNH-UHFFFAOYSA-N
XLogP-0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.94
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 163487425?
The IUPAC name of CID 163487425 (CID 163487425) is not available.
What is the SMILES notation for CID 163487425?
The canonical SMILES for CID 163487425 is [B]c1ccc(NN)c(F)c1.
What is the InChIKey of CID 163487425?
The InChIKey is MPOALPVFRODVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BFN2/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H,9H2.
What are the key properties of CID 163487425?
CID 163487425 has a molecular weight of 135.94 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163487425 is sourced from PubChem (CID 163487425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).