1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C10H11F3N2O2 — CID 103146769

IUPAC1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESNc1ncccc1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-3-8(16)7-2-1-4-15-9(7)14/h1-2,4H,3,5-6H2,(H2,14,15)
InChIKeyDDWUNNOFRZZOJI-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.82
Rot. Bonds5

About 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103146769) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103146769
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESNc1ncccc1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-3-8(16)7-2-1-4-15-9(7)14/h1-2,4H,3,5-6H2,(H2,14,15)
InChIKeyDDWUNNOFRZZOJI-UHFFFAOYSA-N
XLogP1.82
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103146769) is 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one is Nc1ncccc1C(=O)CCOCC(F)(F)F.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is DDWUNNOFRZZOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-3-8(16)7-2-1-4-15-9(7)14/h1-2,4H,3,5-6H2,(H2,14,15).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 248.20 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103146769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).