1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone

C14H12N2O2 — CID 13032385

IUPAC1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cccc(C(C)=O)n2)n1
InChIInChI=1S/C14H12N2O2/c1-9(17)11-5-3-7-13(15-11)14-8-4-6-12(16-14)10(2)18/h3-8H,1-2H3
InChIKeyKYXBCPWHTPLSPY-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.55
Rot. Bonds3

About 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone

1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone (PubChem CID 13032385) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone
PubChem CID13032385
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cccc(C(C)=O)n2)n1
InChIInChI=1S/C14H12N2O2/c1-9(17)11-5-3-7-13(15-11)14-8-4-6-12(16-14)10(2)18/h3-8H,1-2H3
InChIKeyKYXBCPWHTPLSPY-UHFFFAOYSA-N
XLogP2.55
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone (CID 13032385) is 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2cccc(C(C)=O)n2)n1.
What is the InChIKey of 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone?
The InChIKey is KYXBCPWHTPLSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9(17)11-5-3-7-13(15-11)14-8-4-6-12(16-14)10(2)18/h3-8H,1-2H3.
What are the key properties of 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone?
1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone has a molecular weight of 240.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 13032385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).