1H-pyrrol-2-ylboronic acid;thiophene

C8H10BNO2S — CID 90046228

IUPAC1H-pyrrol-2-ylboronic acid;thiophene
SMILESOB(O)c1ccc[nH]1.c1ccsc1
InChIInChI=1S/C4H6BNO2.C4H4S/c7-5(8)4-2-1-3-6-4;1-2-4-5-3-1/h1-3,6-8H;1-4H
InChIKeyBKLSBBODXBEDJC-UHFFFAOYSA-N
MW195.05 g/mol
LogP0.44
Rot. Bonds1

About 1H-pyrrol-2-ylboronic acid;thiophene

1H-pyrrol-2-ylboronic acid;thiophene (PubChem CID 90046228) has the molecular formula C8H10BNO2S and a molecular weight of 195.05 g/mol. Its IUPAC name is 1H-pyrrol-2-ylboronic acid;thiophene.

Molecular Properties

Compound Name1H-pyrrol-2-ylboronic acid;thiophene
PubChem CID90046228
Molecular FormulaC8H10BNO2S
Molecular Weight195.05 g/mol
Exact Mass195.05
IUPAC Name1H-pyrrol-2-ylboronic acid;thiophene
SMILESOB(O)c1ccc[nH]1.c1ccsc1
InChIInChI=1S/C4H6BNO2.C4H4S/c7-5(8)4-2-1-3-6-4;1-2-4-5-3-1/h1-3,6-8H;1-4H
InChIKeyBKLSBBODXBEDJC-UHFFFAOYSA-N
XLogP0.44
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 50.44
H-Bond Donors ≤ 53
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 1H-pyrrol-2-ylboronic acid;thiophene?
The IUPAC name of 1H-pyrrol-2-ylboronic acid;thiophene (CID 90046228) is 1H-pyrrol-2-ylboronic acid;thiophene.
What is the SMILES notation for 1H-pyrrol-2-ylboronic acid;thiophene?
The canonical SMILES for 1H-pyrrol-2-ylboronic acid;thiophene is OB(O)c1ccc[nH]1.c1ccsc1.
What is the InChIKey of 1H-pyrrol-2-ylboronic acid;thiophene?
The InChIKey is BKLSBBODXBEDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BNO2.C4H4S/c7-5(8)4-2-1-3-6-4;1-2-4-5-3-1/h1-3,6-8H;1-4H.
What are the key properties of 1H-pyrrol-2-ylboronic acid;thiophene?
1H-pyrrol-2-ylboronic acid;thiophene has a molecular weight of 195.05 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-ylboronic acid;thiophene is sourced from PubChem (CID 90046228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).