3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile

C19H10N2O — CID 71724665

IUPAC3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile
SMILESN#CC1=C(c2cccnc2)C(=O)c2cccc3cccc1c23
InChIInChI=1S/C19H10N2O/c20-10-16-14-7-1-4-12-5-2-8-15(17(12)14)19(22)18(16)13-6-3-9-21-11-13/h1-9,11H
InChIKeyXABDZBMJDXYUDW-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.87
Rot. Bonds1

About 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile

3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile (PubChem CID 71724665) has the molecular formula C19H10N2O and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile.

Molecular Properties

Compound Name3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile
PubChem CID71724665
Molecular FormulaC19H10N2O
Molecular Weight282.30 g/mol
Exact Mass282.08
IUPAC Name3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile
SMILESN#CC1=C(c2cccnc2)C(=O)c2cccc3cccc1c23
InChIInChI=1S/C19H10N2O/c20-10-16-14-7-1-4-12-5-2-8-15(17(12)14)19(22)18(16)13-6-3-9-21-11-13/h1-9,11H
InChIKeyXABDZBMJDXYUDW-UHFFFAOYSA-N
XLogP3.87
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile?
The IUPAC name of 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile (CID 71724665) is 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile.
What is the SMILES notation for 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile?
The canonical SMILES for 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile is N#CC1=C(c2cccnc2)C(=O)c2cccc3cccc1c23.
What is the InChIKey of 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile?
The InChIKey is XABDZBMJDXYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O/c20-10-16-14-7-1-4-12-5-2-8-15(17(12)14)19(22)18(16)13-6-3-9-21-11-13/h1-9,11H.
What are the key properties of 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile?
3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pyridin-3-ylphenalene-1-carbonitrile is sourced from PubChem (CID 71724665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).