5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile

C18H12N2O — CID 126669571

IUPAC5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile
SMILESCC(=O)c1cc(-c2ccc(C#N)nc2)c2ccccc2c1
InChIInChI=1S/C18H12N2O/c1-12(21)15-8-13-4-2-3-5-17(13)18(9-15)14-6-7-16(10-19)20-11-14/h2-9,11H,1H3
InChIKeyGEHUBXOLMOLTBG-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.98
Rot. Bonds2

About 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile

5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile (PubChem CID 126669571) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile
PubChem CID126669571
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile
SMILESCC(=O)c1cc(-c2ccc(C#N)nc2)c2ccccc2c1
InChIInChI=1S/C18H12N2O/c1-12(21)15-8-13-4-2-3-5-17(13)18(9-15)14-6-7-16(10-19)20-11-14/h2-9,11H,1H3
InChIKeyGEHUBXOLMOLTBG-UHFFFAOYSA-N
XLogP3.98
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile (CID 126669571) is 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile is CC(=O)c1cc(-c2ccc(C#N)nc2)c2ccccc2c1.
What is the InChIKey of 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile?
The InChIKey is GEHUBXOLMOLTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c1-12(21)15-8-13-4-2-3-5-17(13)18(9-15)14-6-7-16(10-19)20-11-14/h2-9,11H,1H3.
What are the key properties of 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile?
5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylnaphthalen-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 126669571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).