naphthalen-2-ylboronic acid

C10H9BO2 — CID 2734375

IUPACnaphthalen-2-ylboronic acid
SMILESOB(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
InChIKeyKPTRDYONBVUWPD-UHFFFAOYSA-N
MW171.99 g/mol
LogP0.52
Rot. Bonds1

About naphthalen-2-ylboronic acid

naphthalen-2-ylboronic acid (PubChem CID 2734375) has the molecular formula C10H9BO2 and a molecular weight of 171.99 g/mol. Its IUPAC name is naphthalen-2-ylboronic acid.

Molecular Properties

Compound Namenaphthalen-2-ylboronic acid
PubChem CID2734375
Molecular FormulaC10H9BO2
Molecular Weight171.99 g/mol
Exact Mass172.07
IUPAC Namenaphthalen-2-ylboronic acid
SMILESOB(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
InChIKeyKPTRDYONBVUWPD-UHFFFAOYSA-N
XLogP0.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.99
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 naphthalen-2-ylboronic acid?
The IUPAC name of naphthalen-2-ylboronic acid (CID 2734375) is naphthalen-2-ylboronic acid.
What is the SMILES notation for naphthalen-2-ylboronic acid?
The canonical SMILES for naphthalen-2-ylboronic acid is OB(O)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylboronic acid?
The InChIKey is KPTRDYONBVUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H.
What are the key properties of naphthalen-2-ylboronic acid?
naphthalen-2-ylboronic acid has a molecular weight of 171.99 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylboronic acid is sourced from PubChem (CID 2734375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).