1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one

C10H11F3N2O2 — CID 103473614

IUPAC1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESNc1ccncc1CC(=O)COCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-8(16)3-7-4-15-2-1-9(7)14/h1-2,4H,3,5-6H2,(H2,14,15)
InChIKeyUAODGTKNTVYILU-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.35
Rot. Bonds5

About 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one

1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103473614) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103473614
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESNc1ccncc1CC(=O)COCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-8(16)3-7-4-15-2-1-9(7)14/h1-2,4H,3,5-6H2,(H2,14,15)
InChIKeyUAODGTKNTVYILU-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103473614) is 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one is Nc1ccncc1CC(=O)COCC(F)(F)F.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is UAODGTKNTVYILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-5-8(16)3-7-4-15-2-1-9(7)14/h1-2,4H,3,5-6H2,(H2,14,15).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 248.20 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103473614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).