1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone

C8H7F3N2O2 — CID 91337264

IUPAC1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone
SMILESCOc1ccc(C(=O)C(F)(F)F)c(N)n1
InChIInChI=1S/C8H7F3N2O2/c1-15-5-3-2-4(7(12)13-5)6(14)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyIRUDASARBUIDBJ-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.42
Rot. Bonds2

About 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone

1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone (PubChem CID 91337264) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone
PubChem CID91337264
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone
SMILESCOc1ccc(C(=O)C(F)(F)F)c(N)n1
InChIInChI=1S/C8H7F3N2O2/c1-15-5-3-2-4(7(12)13-5)6(14)8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyIRUDASARBUIDBJ-UHFFFAOYSA-N
XLogP1.42
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone (CID 91337264) is 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone is COc1ccc(C(=O)C(F)(F)F)c(N)n1.
What is the InChIKey of 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone?
The InChIKey is IRUDASARBUIDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-15-5-3-2-4(7(12)13-5)6(14)8(9,10)11/h2-3H,1H3,(H2,12,13).
What are the key properties of 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone?
1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone has a molecular weight of 220.15 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methoxy-3-pyridinyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 91337264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).