2-(6-acetyl-3-pyridinyl)-1-phenylethanone

C15H13NO2 — CID 159930313

IUPAC2-(6-acetyl-3-pyridinyl)-1-phenylethanone
SMILESCC(=O)c1ccc(CC(=O)c2ccccc2)cn1
InChIInChI=1S/C15H13NO2/c1-11(17)14-8-7-12(10-16-14)9-15(18)13-5-3-2-4-6-13/h2-8,10H,9H2,1H3
InChIKeyNZNZRUOUXDVNMR-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.71
Rot. Bonds4

About 2-(6-acetyl-3-pyridinyl)-1-phenylethanone

2-(6-acetyl-3-pyridinyl)-1-phenylethanone (PubChem CID 159930313) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(6-acetyl-3-pyridinyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(6-acetyl-3-pyridinyl)-1-phenylethanone
PubChem CID159930313
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(6-acetyl-3-pyridinyl)-1-phenylethanone
SMILESCC(=O)c1ccc(CC(=O)c2ccccc2)cn1
InChIInChI=1S/C15H13NO2/c1-11(17)14-8-7-12(10-16-14)9-15(18)13-5-3-2-4-6-13/h2-8,10H,9H2,1H3
InChIKeyNZNZRUOUXDVNMR-UHFFFAOYSA-N
XLogP2.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid
CID 170110433
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
6-acetylpyridine-3-carboxylic acid
CID 22323784
1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone
CID 70457829
4-phenacylbenzoyl iodide
CID 142013538
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
1,2-diphenylethanone;diphenylmethanone
CID 141067729
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
CID 162221142
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one
CID 71326148
erbium;1-phenylbutane-1,3-dione
CID 175058632

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-3-pyridinyl)-1-phenylethanone?
The IUPAC name of 2-(6-acetyl-3-pyridinyl)-1-phenylethanone (CID 159930313) is 2-(6-acetyl-3-pyridinyl)-1-phenylethanone.
What is the SMILES notation for 2-(6-acetyl-3-pyridinyl)-1-phenylethanone?
The canonical SMILES for 2-(6-acetyl-3-pyridinyl)-1-phenylethanone is CC(=O)c1ccc(CC(=O)c2ccccc2)cn1.
What is the InChIKey of 2-(6-acetyl-3-pyridinyl)-1-phenylethanone?
The InChIKey is NZNZRUOUXDVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11(17)14-8-7-12(10-16-14)9-15(18)13-5-3-2-4-6-13/h2-8,10H,9H2,1H3.
What are the key properties of 2-(6-acetyl-3-pyridinyl)-1-phenylethanone?
2-(6-acetyl-3-pyridinyl)-1-phenylethanone has a molecular weight of 239.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-3-pyridinyl)-1-phenylethanone is sourced from PubChem (CID 159930313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).