2-borylpyrrole

C4H4BN — CID 57423148

IUPAC—
SMILES[B]c1ccc[nH]1
InChIInChI=1S/C4H4BN/c5-4-2-1-3-6-4/h1-3,6H
InChIKeyHWVUOWRKZKVKPX-UHFFFAOYSA-N
MW76.89 g/mol
LogP-0.19
Rot. Bonds

About 2-borylpyrrole

2-borylpyrrole (PubChem CID 57423148) has the molecular formula C4H4BN and a molecular weight of 76.89 g/mol.

Molecular Properties

Compound Name2-borylpyrrole
PubChem CID57423148
Molecular FormulaC4H4BN
Molecular Weight76.89 g/mol
Exact Mass77.04
IUPAC Name—
SMILES[B]c1ccc[nH]1
InChIInChI=1S/C4H4BN/c5-4-2-1-3-6-4/h1-3,6H
InChIKeyHWVUOWRKZKVKPX-UHFFFAOYSA-N
XLogP-0.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.89
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 2-borylpyrrole?
The IUPAC name of 2-borylpyrrole (CID 57423148) is not available.
What is the SMILES notation for 2-borylpyrrole?
The canonical SMILES for 2-borylpyrrole is [B]c1ccc[nH]1.
What is the InChIKey of 2-borylpyrrole?
The InChIKey is HWVUOWRKZKVKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BN/c5-4-2-1-3-6-4/h1-3,6H.
What are the key properties of 2-borylpyrrole?
2-borylpyrrole has a molecular weight of 76.89 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-borylpyrrole is sourced from PubChem (CID 57423148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).