1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone

C13H11ClF2N2O — CID 18187356

IUPAC1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone
SMILESNC1C(C(=O)C(F)F)=CC=CN1c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClF2N2O/c14-8-3-5-9(6-4-8)18-7-1-2-10(13(18)17)11(19)12(15)16/h1-7,12-13H,17H2
InChIKeyUUSOEHLTVOHHQF-UHFFFAOYSA-N
MW284.69 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone

1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone (PubChem CID 18187356) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone
PubChem CID18187356
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone
SMILESNC1C(C(=O)C(F)F)=CC=CN1c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClF2N2O/c14-8-3-5-9(6-4-8)18-7-1-2-10(13(18)17)11(19)12(15)16/h1-7,12-13H,17H2
InChIKeyUUSOEHLTVOHHQF-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone (CID 18187356) is 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone is NC1C(C(=O)C(F)F)=CC=CN1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone?
The InChIKey is UUSOEHLTVOHHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c14-8-3-5-9(6-4-8)18-7-1-2-10(13(18)17)11(19)12(15)16/h1-7,12-13H,17H2.
What are the key properties of 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone?
1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone has a molecular weight of 284.69 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoroethanone is sourced from PubChem (CID 18187356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).