[6-(dimethylamino)naphthalen-2-yl]boronic acid

C12H14BNO2 — CID 11218173

IUPAC[6-(dimethylamino)naphthalen-2-yl]boronic acid
SMILESCN(C)c1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C12H14BNO2/c1-14(2)12-6-4-9-7-11(13(15)16)5-3-10(9)8-12/h3-8,15-16H,1-2H3
InChIKeyBVJUDWOUIWCSRJ-UHFFFAOYSA-N
MW215.06 g/mol
LogP0.59
Rot. Bonds2

About [6-(dimethylamino)naphthalen-2-yl]boronic acid

[6-(dimethylamino)naphthalen-2-yl]boronic acid (PubChem CID 11218173) has the molecular formula C12H14BNO2 and a molecular weight of 215.06 g/mol. Its IUPAC name is [6-(dimethylamino)naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-(dimethylamino)naphthalen-2-yl]boronic acid
PubChem CID11218173
Molecular FormulaC12H14BNO2
Molecular Weight215.06 g/mol
Exact Mass215.11
IUPAC Name[6-(dimethylamino)naphthalen-2-yl]boronic acid
SMILESCN(C)c1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C12H14BNO2/c1-14(2)12-6-4-9-7-11(13(15)16)5-3-10(9)8-12/h3-8,15-16H,1-2H3
InChIKeyBVJUDWOUIWCSRJ-UHFFFAOYSA-N
XLogP0.59
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 50.59
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 [6-(dimethylamino)naphthalen-2-yl]boronic acid?
The IUPAC name of [6-(dimethylamino)naphthalen-2-yl]boronic acid (CID 11218173) is [6-(dimethylamino)naphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-(dimethylamino)naphthalen-2-yl]boronic acid?
The canonical SMILES for [6-(dimethylamino)naphthalen-2-yl]boronic acid is CN(C)c1ccc2cc(B(O)O)ccc2c1.
What is the InChIKey of [6-(dimethylamino)naphthalen-2-yl]boronic acid?
The InChIKey is BVJUDWOUIWCSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BNO2/c1-14(2)12-6-4-9-7-11(13(15)16)5-3-10(9)8-12/h3-8,15-16H,1-2H3.
What are the key properties of [6-(dimethylamino)naphthalen-2-yl]boronic acid?
[6-(dimethylamino)naphthalen-2-yl]boronic acid has a molecular weight of 215.06 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)naphthalen-2-yl]boronic acid is sourced from PubChem (CID 11218173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).