3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one

C9H11F3N2O2 — CID 90346832

IUPAC3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
SMILESCNCc1cc(=O)c(O)c(CC(F)(F)F)[nH]1
InChIInChI=1S/C9H11F3N2O2/c1-13-4-5-2-7(15)8(16)6(14-5)3-9(10,11)12/h2,13,16H,3-4H2,1H3,(H,14,15)
InChIKeyZFHMCUSLZYPAKH-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.90
Rot. Bonds3

About 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one

3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one (PubChem CID 90346832) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
PubChem CID90346832
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
SMILESCNCc1cc(=O)c(O)c(CC(F)(F)F)[nH]1
InChIInChI=1S/C9H11F3N2O2/c1-13-4-5-2-7(15)8(16)6(14-5)3-9(10,11)12/h2,13,16H,3-4H2,1H3,(H,14,15)
InChIKeyZFHMCUSLZYPAKH-UHFFFAOYSA-N
XLogP0.90
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one (CID 90346832) is 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one is CNCc1cc(=O)c(O)c(CC(F)(F)F)[nH]1.
What is the InChIKey of 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The InChIKey is ZFHMCUSLZYPAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-13-4-5-2-7(15)8(16)6(14-5)3-9(10,11)12/h2,13,16H,3-4H2,1H3,(H,14,15).
What are the key properties of 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one has a molecular weight of 236.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyridin-4-one is sourced from PubChem (CID 90346832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).