2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone

C13H10F2N2O — CID 58138635

IUPAC2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone
SMILESNc1cccc(CC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C13H10F2N2O/c14-9-4-2-5-10(15)13(9)11(18)7-8-3-1-6-12(16)17-8/h1-6H,7H2,(H2,16,17)
InChIKeyZJUIFORFALFLGF-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.37
Rot. Bonds3

About 2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone

2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone (PubChem CID 58138635) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone
PubChem CID58138635
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone
SMILESNc1cccc(CC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C13H10F2N2O/c14-9-4-2-5-10(15)13(9)11(18)7-8-3-1-6-12(16)17-8/h1-6H,7H2,(H2,16,17)
InChIKeyZJUIFORFALFLGF-UHFFFAOYSA-N
XLogP2.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.37
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-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone (CID 58138635) is 2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone is Nc1cccc(CC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of 2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone?
The InChIKey is ZJUIFORFALFLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-9-4-2-5-10(15)13(9)11(18)7-8-3-1-6-12(16)17-8/h1-6H,7H2,(H2,16,17).
What are the key properties of 2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone?
2-(6-amino-2-pyridinyl)-1-(2,6-difluorophenyl)ethanone has a molecular weight of 248.23 g/mol, XLogP of 2.37, 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-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 58138635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).