[5-(methylamino)naphthalen-1-yl]boronic acid

C11H12BNO2 — CID 86235248

IUPAC[5-(methylamino)naphthalen-1-yl]boronic acid
SMILESCNc1cccc2c(B(O)O)cccc12
InChIInChI=1S/C11H12BNO2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12(14)15/h2-7,13-15H,1H3
InChIKeyMPOZMSNZWZTQEF-UHFFFAOYSA-N
MW201.03 g/mol
LogP0.56
Rot. Bonds2

About [5-(methylamino)naphthalen-1-yl]boronic acid

[5-(methylamino)naphthalen-1-yl]boronic acid (PubChem CID 86235248) has the molecular formula C11H12BNO2 and a molecular weight of 201.03 g/mol. Its IUPAC name is [5-(methylamino)naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[5-(methylamino)naphthalen-1-yl]boronic acid
PubChem CID86235248
Molecular FormulaC11H12BNO2
Molecular Weight201.03 g/mol
Exact Mass201.10
IUPAC Name[5-(methylamino)naphthalen-1-yl]boronic acid
SMILESCNc1cccc2c(B(O)O)cccc12
InChIInChI=1S/C11H12BNO2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12(14)15/h2-7,13-15H,1H3
InChIKeyMPOZMSNZWZTQEF-UHFFFAOYSA-N
XLogP0.56
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.03
LogP ≤ 50.56
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 [5-(methylamino)naphthalen-1-yl]boronic acid?
The IUPAC name of [5-(methylamino)naphthalen-1-yl]boronic acid (CID 86235248) is [5-(methylamino)naphthalen-1-yl]boronic acid.
What is the SMILES notation for [5-(methylamino)naphthalen-1-yl]boronic acid?
The canonical SMILES for [5-(methylamino)naphthalen-1-yl]boronic acid is CNc1cccc2c(B(O)O)cccc12.
What is the InChIKey of [5-(methylamino)naphthalen-1-yl]boronic acid?
The InChIKey is MPOZMSNZWZTQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BNO2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12(14)15/h2-7,13-15H,1H3.
What are the key properties of [5-(methylamino)naphthalen-1-yl]boronic acid?
[5-(methylamino)naphthalen-1-yl]boronic acid has a molecular weight of 201.03 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)naphthalen-1-yl]boronic acid is sourced from PubChem (CID 86235248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).