10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one

C26H19FN2O — CID 151285252

IUPAC10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one
SMILESO=C1c2ccccc2C(Cc2ccccn2)(Cc2cccc(F)n2)c2ccccc21
InChIInChI=1S/C26H19FN2O/c27-24-14-7-9-19(29-24)17-26(16-18-8-5-6-15-28-18)22-12-3-1-10-20(22)25(30)21-11-2-4-13-23(21)26/h1-15H,16-17H2
InChIKeyNZGCWUMLHPYSCT-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.93
Rot. Bonds4

About 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one

10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one (PubChem CID 151285252) has the molecular formula C26H19FN2O and a molecular weight of 394.45 g/mol. Its IUPAC name is 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one.

Molecular Properties

Compound Name10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one
PubChem CID151285252
Molecular FormulaC26H19FN2O
Molecular Weight394.45 g/mol
Exact Mass394.15
IUPAC Name10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one
SMILESO=C1c2ccccc2C(Cc2ccccn2)(Cc2cccc(F)n2)c2ccccc21
InChIInChI=1S/C26H19FN2O/c27-24-14-7-9-19(29-24)17-26(16-18-8-5-6-15-28-18)22-12-3-1-10-20(22)25(30)21-11-2-4-13-23(21)26/h1-15H,16-17H2
InChIKeyNZGCWUMLHPYSCT-UHFFFAOYSA-N
XLogP4.93
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one?
The IUPAC name of 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one (CID 151285252) is 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one.
What is the SMILES notation for 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one?
The canonical SMILES for 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one is O=C1c2ccccc2C(Cc2ccccn2)(Cc2cccc(F)n2)c2ccccc21.
What is the InChIKey of 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one?
The InChIKey is NZGCWUMLHPYSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O/c27-24-14-7-9-19(29-24)17-26(16-18-8-5-6-15-28-18)22-12-3-1-10-20(22)25(30)21-11-2-4-13-23(21)26/h1-15H,16-17H2.
What are the key properties of 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one?
10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one has a molecular weight of 394.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(6-fluoro-2-pyridinyl)methyl]-10-(pyridin-2-ylmethyl)anthracen-9-one is sourced from PubChem (CID 151285252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).