5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one

C19H14N2O — CID 86715526

IUPAC5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3ncccc3-c3ccncc3)ccc21
InChIInChI=1S/C19H14N2O/c22-18-6-4-14-12-15(3-5-16(14)18)19-17(2-1-9-21-19)13-7-10-20-11-8-13/h1-3,5,7-12H,4,6H2
InChIKeyOCGPHZJYPTUWJD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.94
Rot. Bonds2

About 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one

5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one (PubChem CID 86715526) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
PubChem CID86715526
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3ncccc3-c3ccncc3)ccc21
InChIInChI=1S/C19H14N2O/c22-18-6-4-14-12-15(3-5-16(14)18)19-17(2-1-9-21-19)13-7-10-20-11-8-13/h1-3,5,7-12H,4,6H2
InChIKeyOCGPHZJYPTUWJD-UHFFFAOYSA-N
XLogP3.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one (CID 86715526) is 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3ncccc3-c3ccncc3)ccc21.
What is the InChIKey of 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one?
The InChIKey is OCGPHZJYPTUWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-18-6-4-14-12-15(3-5-16(14)18)19-17(2-1-9-21-19)13-7-10-20-11-8-13/h1-3,5,7-12H,4,6H2.
What are the key properties of 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one?
5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one has a molecular weight of 286.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 86715526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).