6-phenacylpyridine-2-carbonitrile

C14H10N2O — CID 19969618

IUPAC6-phenacylpyridine-2-carbonitrile
SMILESN#Cc1cccc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C14H10N2O/c15-10-13-8-4-7-12(16-13)9-14(17)11-5-2-1-3-6-11/h1-8H,9H2
InChIKeySKOCBJCLKLWIOF-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.38
Rot. Bonds3

About 6-phenacylpyridine-2-carbonitrile

6-phenacylpyridine-2-carbonitrile (PubChem CID 19969618) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-phenacylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-phenacylpyridine-2-carbonitrile
PubChem CID19969618
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name6-phenacylpyridine-2-carbonitrile
SMILESN#Cc1cccc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C14H10N2O/c15-10-13-8-4-7-12(16-13)9-14(17)11-5-2-1-3-6-11/h1-8H,9H2
InChIKeySKOCBJCLKLWIOF-UHFFFAOYSA-N
XLogP2.38
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenacylpyridine-2-carbonitrile?
The IUPAC name of 6-phenacylpyridine-2-carbonitrile (CID 19969618) is 6-phenacylpyridine-2-carbonitrile.
What is the SMILES notation for 6-phenacylpyridine-2-carbonitrile?
The canonical SMILES for 6-phenacylpyridine-2-carbonitrile is N#Cc1cccc(CC(=O)c2ccccc2)n1.
What is the InChIKey of 6-phenacylpyridine-2-carbonitrile?
The InChIKey is SKOCBJCLKLWIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c15-10-13-8-4-7-12(16-13)9-14(17)11-5-2-1-3-6-11/h1-8H,9H2.
What are the key properties of 6-phenacylpyridine-2-carbonitrile?
6-phenacylpyridine-2-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenacylpyridine-2-carbonitrile is sourced from PubChem (CID 19969618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).