(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

C10H9F3N2O4 — CID 46696653

IUPAC(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESNC(=O)COC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-8-2-1-6(3-15-8)9(17)18-4-7(14)16/h1-3H,4-5H2,(H2,14,16)
InChIKeyPCRZMDDZUOPUHF-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.66
Rot. Bonds5

About (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate

(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (PubChem CID 46696653) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
PubChem CID46696653
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
SMILESNC(=O)COC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-8-2-1-6(3-15-8)9(17)18-4-7(14)16/h1-3H,4-5H2,(H2,14,16)
InChIKeyPCRZMDDZUOPUHF-UHFFFAOYSA-N
XLogP0.66
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
[[amino-[4-(trifluoromethoxy)phenyl]methylidene]amino] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 2746140
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46519896
(2,5-dioxopyrrolidin-1-yl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 87557953
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696945
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 55502829
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
3-(1,3-benzothiazol-2-yl)propyl 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 52722170
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696968
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119523407
N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 95156000
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate (CID 46696653) is (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is NC(=O)COC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
The InChIKey is PCRZMDDZUOPUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)5-19-8-2-1-6(3-15-8)9(17)18-4-7(14)16/h1-3H,4-5H2,(H2,14,16).
What are the key properties of (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate?
(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate has a molecular weight of 278.19 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 46696653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).