1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone

C7H4ClF3N2O — CID 18187284

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone
SMILESNc1ncc(Cl)cc1C(=O)C(F)(F)F
InChIInChI=1S/C7H4ClF3N2O/c8-3-1-4(6(12)13-2-3)5(14)7(9,10)11/h1-2H,(H2,12,13)
InChIKeyRSRWKUYAHWGPMV-UHFFFAOYSA-N
MW224.57 g/mol
LogP2.06
Rot. Bonds1

About 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone

1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone (PubChem CID 18187284) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone
PubChem CID18187284
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone
SMILESNc1ncc(Cl)cc1C(=O)C(F)(F)F
InChIInChI=1S/C7H4ClF3N2O/c8-3-1-4(6(12)13-2-3)5(14)7(9,10)11/h1-2H,(H2,12,13)
InChIKeyRSRWKUYAHWGPMV-UHFFFAOYSA-N
XLogP2.06
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone (CID 18187284) is 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone is Nc1ncc(Cl)cc1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone?
The InChIKey is RSRWKUYAHWGPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-3-1-4(6(12)13-2-3)5(14)7(9,10)11/h1-2H,(H2,12,13).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone?
1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone has a molecular weight of 224.57 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 18187284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).