(5-methylquinolin-8-yl)boronic acid

C10H10BNO2 — CID 59606741

IUPAC(5-methylquinolin-8-yl)boronic acid
SMILESCc1ccc(B(O)O)c2ncccc12
InChIInChI=1S/C10H10BNO2/c1-7-4-5-9(11(13)14)10-8(7)3-2-6-12-10/h2-6,13-14H,1H3
InChIKeyLXSOTTKBEWZBRX-UHFFFAOYSA-N
MW187.01 g/mol
LogP0.22
Rot. Bonds1

About (5-methylquinolin-8-yl)boronic acid

(5-methylquinolin-8-yl)boronic acid (PubChem CID 59606741) has the molecular formula C10H10BNO2 and a molecular weight of 187.01 g/mol. Its IUPAC name is (5-methylquinolin-8-yl)boronic acid.

Molecular Properties

Compound Name(5-methylquinolin-8-yl)boronic acid
PubChem CID59606741
Molecular FormulaC10H10BNO2
Molecular Weight187.01 g/mol
Exact Mass187.08
IUPAC Name(5-methylquinolin-8-yl)boronic acid
SMILESCc1ccc(B(O)O)c2ncccc12
InChIInChI=1S/C10H10BNO2/c1-7-4-5-9(11(13)14)10-8(7)3-2-6-12-10/h2-6,13-14H,1H3
InChIKeyLXSOTTKBEWZBRX-UHFFFAOYSA-N
XLogP0.22
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.01
LogP ≤ 50.22
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-methylquinolin-8-yl)boronic acid?
The IUPAC name of (5-methylquinolin-8-yl)boronic acid (CID 59606741) is (5-methylquinolin-8-yl)boronic acid.
What is the SMILES notation for (5-methylquinolin-8-yl)boronic acid?
The canonical SMILES for (5-methylquinolin-8-yl)boronic acid is Cc1ccc(B(O)O)c2ncccc12.
What is the InChIKey of (5-methylquinolin-8-yl)boronic acid?
The InChIKey is LXSOTTKBEWZBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BNO2/c1-7-4-5-9(11(13)14)10-8(7)3-2-6-12-10/h2-6,13-14H,1H3.
What are the key properties of (5-methylquinolin-8-yl)boronic acid?
(5-methylquinolin-8-yl)boronic acid has a molecular weight of 187.01 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylquinolin-8-yl)boronic acid is sourced from PubChem (CID 59606741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).