CID 152932835

C6H6BFN2 — CID 152932835

IUPAC—
SMILES[B]c1cc(N)c(F)cc1N
InChIInChI=1S/C6H6BFN2/c7-3-1-6(10)4(8)2-5(3)9/h1-2H,9-10H2
InChIKeyJRQIYDLKSVZSKE-UHFFFAOYSA-N
MW135.94 g/mol
LogP-0.22
Rot. Bonds

About CID 152932835

CID 152932835 (PubChem CID 152932835) has the molecular formula C6H6BFN2 and a molecular weight of 135.94 g/mol.

Molecular Properties

Compound NameCID 152932835
PubChem CID152932835
Molecular FormulaC6H6BFN2
Molecular Weight135.94 g/mol
Exact Mass136.06
IUPAC Name—
SMILES[B]c1cc(N)c(F)cc1N
InChIInChI=1S/C6H6BFN2/c7-3-1-6(10)4(8)2-5(3)9/h1-2H,9-10H2
InChIKeyJRQIYDLKSVZSKE-UHFFFAOYSA-N
XLogP-0.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.94
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 152932835?
The IUPAC name of CID 152932835 (CID 152932835) is not available.
What is the SMILES notation for CID 152932835?
The canonical SMILES for CID 152932835 is [B]c1cc(N)c(F)cc1N.
What is the InChIKey of CID 152932835?
The InChIKey is JRQIYDLKSVZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BFN2/c7-3-1-6(10)4(8)2-5(3)9/h1-2H,9-10H2.
What are the key properties of CID 152932835?
CID 152932835 has a molecular weight of 135.94 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 152932835 is sourced from PubChem (CID 152932835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).