acridin-4-ylboronic acid

C13H10BNO2 — CID 158530162

IUPACacridin-4-ylboronic acid
SMILESOB(O)c1cccc2cc3ccccc3nc12
InChIInChI=1S/C13H10BNO2/c16-14(17)11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8,16-17H
InChIKeyHNGPPPQOGNFLJS-UHFFFAOYSA-N
MW223.04 g/mol
LogP1.07
Rot. Bonds1

About acridin-4-ylboronic acid

acridin-4-ylboronic acid (PubChem CID 158530162) has the molecular formula C13H10BNO2 and a molecular weight of 223.04 g/mol. Its IUPAC name is acridin-4-ylboronic acid.

Molecular Properties

Compound Nameacridin-4-ylboronic acid
PubChem CID158530162
Molecular FormulaC13H10BNO2
Molecular Weight223.04 g/mol
Exact Mass223.08
IUPAC Nameacridin-4-ylboronic acid
SMILESOB(O)c1cccc2cc3ccccc3nc12
InChIInChI=1S/C13H10BNO2/c16-14(17)11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8,16-17H
InChIKeyHNGPPPQOGNFLJS-UHFFFAOYSA-N
XLogP1.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-ylacridine
CID 87209750
3-methylacridin-4-ol
CID 89346727
4-pyrrolidin-1-ylacridine
CID 154019163
acridine;ethane
CID 123684759
acridine
CID 21226281
4-methylacridin-3-ol
CID 135711163
28-methyl-31-azaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20,22(32),23,25,27,29-octadecaene
CID 171043793
2-methylbenzo[b][1,10]phenanthroline
CID 11615688
4-propylacridine
CID 609894
acridine-4-carboxamide
CID 3025721
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240

Frequently Asked Questions

What is the IUPAC name of acridin-4-ylboronic acid?
The IUPAC name of acridin-4-ylboronic acid (CID 158530162) is acridin-4-ylboronic acid.
What is the SMILES notation for acridin-4-ylboronic acid?
The canonical SMILES for acridin-4-ylboronic acid is OB(O)c1cccc2cc3ccccc3nc12.
What is the InChIKey of acridin-4-ylboronic acid?
The InChIKey is HNGPPPQOGNFLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BNO2/c16-14(17)11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8,16-17H.
What are the key properties of acridin-4-ylboronic acid?
acridin-4-ylboronic acid has a molecular weight of 223.04 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-4-ylboronic acid is sourced from PubChem (CID 158530162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).