5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile

C15H10N2O — CID 114080987

IUPAC5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3c(c2)CCC3=O)c1
InChIInChI=1S/C15H10N2O/c16-7-10-5-13(9-17-8-10)11-1-3-14-12(6-11)2-4-15(14)18/h1,3,5-6,8-9H,2,4H2
InChIKeyWXDXLASLAFDPAK-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.75
Rot. Bonds1

About 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile

5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile (PubChem CID 114080987) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile
PubChem CID114080987
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3c(c2)CCC3=O)c1
InChIInChI=1S/C15H10N2O/c16-7-10-5-13(9-17-8-10)11-1-3-14-12(6-11)2-4-15(14)18/h1,3,5-6,8-9H,2,4H2
InChIKeyWXDXLASLAFDPAK-UHFFFAOYSA-N
XLogP2.75
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile (CID 114080987) is 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc3c(c2)CCC3=O)c1.
What is the InChIKey of 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile?
The InChIKey is WXDXLASLAFDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c16-7-10-5-13(9-17-8-10)11-1-3-14-12(6-11)2-4-15(14)18/h1,3,5-6,8-9H,2,4H2.
What are the key properties of 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile?
5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxo-2,3-dihydroinden-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 114080987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).