(10-pyridin-2-ylanthracen-9-yl)oxyboronic acid

C19H14BNO3 — CID 21076342

IUPAC(10-pyridin-2-ylanthracen-9-yl)oxyboronic acid
SMILESOB(O)Oc1c2ccccc2c(-c2ccccn2)c2ccccc12
InChIInChI=1S/C19H14BNO3/c22-20(23)24-19-15-9-3-1-7-13(15)18(17-11-5-6-12-21-17)14-8-2-4-10-16(14)19/h1-12,22-23H
InChIKeyXUAKWDUWUPXJCS-UHFFFAOYSA-N
MW315.14 g/mol
LogP3.40
Rot. Bonds3

About (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid

(10-pyridin-2-ylanthracen-9-yl)oxyboronic acid (PubChem CID 21076342) has the molecular formula C19H14BNO3 and a molecular weight of 315.14 g/mol. Its IUPAC name is (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid.

Molecular Properties

Compound Name(10-pyridin-2-ylanthracen-9-yl)oxyboronic acid
PubChem CID21076342
Molecular FormulaC19H14BNO3
Molecular Weight315.14 g/mol
Exact Mass315.11
IUPAC Name(10-pyridin-2-ylanthracen-9-yl)oxyboronic acid
SMILESOB(O)Oc1c2ccccc2c(-c2ccccn2)c2ccccc12
InChIInChI=1S/C19H14BNO3/c22-20(23)24-19-15-9-3-1-7-13(15)18(17-11-5-6-12-21-17)14-8-2-4-10-16(14)19/h1-12,22-23H
InChIKeyXUAKWDUWUPXJCS-UHFFFAOYSA-N
XLogP3.40
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
10-pyridin-2-ylphenanthren-9-ol
CID 135973428
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-(22-pyridin-2-yl-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl)pyridine
CID 58738539
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-benzo[a]anthracen-7-ylpyridine
CID 154825161

Frequently Asked Questions

What is the IUPAC name of (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid?
The IUPAC name of (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid (CID 21076342) is (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid.
What is the SMILES notation for (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid?
The canonical SMILES for (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid is OB(O)Oc1c2ccccc2c(-c2ccccn2)c2ccccc12.
What is the InChIKey of (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid?
The InChIKey is XUAKWDUWUPXJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BNO3/c22-20(23)24-19-15-9-3-1-7-13(15)18(17-11-5-6-12-21-17)14-8-2-4-10-16(14)19/h1-12,22-23H.
What are the key properties of (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid?
(10-pyridin-2-ylanthracen-9-yl)oxyboronic acid has a molecular weight of 315.14 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-pyridin-2-ylanthracen-9-yl)oxyboronic acid is sourced from PubChem (CID 21076342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).