3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

C13H11F3N2O2 — CID 168825593

IUPAC3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)c(N)c(=O)[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-7-6-10(11(17)12(19)18-7)8-2-4-9(5-3-8)20-13(14,15)16/h2-6H,17H2,1H3,(H,18,19)
InChIKeyPHZKPGOZIQYAES-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.83
Rot. Bonds2

About 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 168825593) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
PubChem CID168825593
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)c(N)c(=O)[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-7-6-10(11(17)12(19)18-7)8-2-4-9(5-3-8)20-13(14,15)16/h2-6H,17H2,1H3,(H,18,19)
InChIKeyPHZKPGOZIQYAES-UHFFFAOYSA-N
XLogP2.83
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091587
3-(4-methoxyphenyl)-5-(trifluoromethoxy)benzene-1,2-diamine
CID 89404596
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586808
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (CID 168825593) is 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is Cc1cc(-c2ccc(OC(F)(F)F)cc2)c(N)c(=O)[nH]1.
What is the InChIKey of 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is PHZKPGOZIQYAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-6-10(11(17)12(19)18-7)8-2-4-9(5-3-8)20-13(14,15)16/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 284.24 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 168825593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).