2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone

C13H9Cl3N2O — CID 58138650

IUPAC2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone
SMILESNc1cccc(CC(=O)c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C13H9Cl3N2O/c14-7-4-9(15)13(10(16)5-7)11(19)6-8-2-1-3-12(17)18-8/h1-5H,6H2,(H2,17,18)
InChIKeyLIKRCNNASWRXFM-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.05
Rot. Bonds3

About 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone

2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone (PubChem CID 58138650) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone
PubChem CID58138650
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone
SMILESNc1cccc(CC(=O)c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C13H9Cl3N2O/c14-7-4-9(15)13(10(16)5-7)11(19)6-8-2-1-3-12(17)18-8/h1-5H,6H2,(H2,17,18)
InChIKeyLIKRCNNASWRXFM-UHFFFAOYSA-N
XLogP4.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone?
The IUPAC name of 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone (CID 58138650) is 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone.
What is the SMILES notation for 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone?
The canonical SMILES for 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone is Nc1cccc(CC(=O)c2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone?
The InChIKey is LIKRCNNASWRXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-7-4-9(15)13(10(16)5-7)11(19)6-8-2-1-3-12(17)18-8/h1-5H,6H2,(H2,17,18).
What are the key properties of 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone?
2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone has a molecular weight of 315.59 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-pyridinyl)-1-(2,4,6-trichlorophenyl)ethanone is sourced from PubChem (CID 58138650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).