3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one

C13H11F3N2O2 — CID 82992770

IUPAC3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one
SMILESNc1cn(Cc2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-9(2-4-10)7-18-6-5-12(19)11(17)8-18/h1-6,8H,7,17H2
InChIKeyNJEYHVXWKHFPPP-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.38
Rot. Bonds3

About 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one

3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one (PubChem CID 82992770) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one
PubChem CID82992770
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one
SMILESNc1cn(Cc2ccc(OC(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-9(2-4-10)7-18-6-5-12(19)11(17)8-18/h1-6,8H,7,17H2
InChIKeyNJEYHVXWKHFPPP-UHFFFAOYSA-N
XLogP2.38
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxylic acid
CID 107344309
1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
CID 116624187
1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carbaldehyde
CID 62727818
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79982620
4-nitro-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 59103037
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
CID 66424380
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090
2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 175147349
chloro (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 142758189
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 70327949

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one (CID 82992770) is 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one is Nc1cn(Cc2ccc(OC(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one?
The InChIKey is NJEYHVXWKHFPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-9(2-4-10)7-18-6-5-12(19)11(17)8-18/h1-6,8H,7,17H2.
What are the key properties of 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one?
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one has a molecular weight of 284.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-one is sourced from PubChem (CID 82992770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).