(5-cyanonaphthalen-2-yl)boronic acid

C11H8BNO2 — CID 133057282

IUPAC(5-cyanonaphthalen-2-yl)boronic acid
SMILESN#Cc1cccc2cc(B(O)O)ccc12
InChIInChI=1S/C11H8BNO2/c13-7-9-3-1-2-8-6-10(12(14)15)4-5-11(8)9/h1-6,14-15H
InChIKeyCKWSFRNFZPZLQH-UHFFFAOYSA-N
MW197.00 g/mol
LogP0.39
Rot. Bonds1

About (5-cyanonaphthalen-2-yl)boronic acid

(5-cyanonaphthalen-2-yl)boronic acid (PubChem CID 133057282) has the molecular formula C11H8BNO2 and a molecular weight of 197.00 g/mol. Its IUPAC name is (5-cyanonaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(5-cyanonaphthalen-2-yl)boronic acid
PubChem CID133057282
Molecular FormulaC11H8BNO2
Molecular Weight197.00 g/mol
Exact Mass197.06
IUPAC Name(5-cyanonaphthalen-2-yl)boronic acid
SMILESN#Cc1cccc2cc(B(O)O)ccc12
InChIInChI=1S/C11H8BNO2/c13-7-9-3-1-2-8-6-10(12(14)15)4-5-11(8)9/h1-6,14-15H
InChIKeyCKWSFRNFZPZLQH-UHFFFAOYSA-N
XLogP0.39
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.00
LogP ≤ 50.39
H-Bond Donors ≤ 52
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 (5-cyanonaphthalen-2-yl)boronic acid?
The IUPAC name of (5-cyanonaphthalen-2-yl)boronic acid (CID 133057282) is (5-cyanonaphthalen-2-yl)boronic acid.
What is the SMILES notation for (5-cyanonaphthalen-2-yl)boronic acid?
The canonical SMILES for (5-cyanonaphthalen-2-yl)boronic acid is N#Cc1cccc2cc(B(O)O)ccc12.
What is the InChIKey of (5-cyanonaphthalen-2-yl)boronic acid?
The InChIKey is CKWSFRNFZPZLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BNO2/c13-7-9-3-1-2-8-6-10(12(14)15)4-5-11(8)9/h1-6,14-15H.
What are the key properties of (5-cyanonaphthalen-2-yl)boronic acid?
(5-cyanonaphthalen-2-yl)boronic acid has a molecular weight of 197.00 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyanonaphthalen-2-yl)boronic acid is sourced from PubChem (CID 133057282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).