5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one

C13H10ClF3N2O — CID 82467328

IUPAC5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one
SMILESCc1cc(=O)c(N)cn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H10ClF3N2O/c1-7-4-12(20)10(18)6-19(7)11-5-8(13(15,16)17)2-3-9(11)14/h2-6H,18H2,1H3
InChIKeyXWJVWNUZFQQSIX-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.40
Rot. Bonds1

About 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one

5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one (PubChem CID 82467328) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one
PubChem CID82467328
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one
SMILESCc1cc(=O)c(N)cn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H10ClF3N2O/c1-7-4-12(20)10(18)6-19(7)11-5-8(13(15,16)17)2-3-9(11)14/h2-6H,18H2,1H3
InChIKeyXWJVWNUZFQQSIX-UHFFFAOYSA-N
XLogP3.40
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
CID 82467413
3-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-thione
CID 81335715
4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521028
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
8-[2-chloro-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62740470
2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 23316713
1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine
CID 79506304
(1S,2R,6R,7S)-10-[bis(4-methylphenyl)methylidene]-4-[2-chloro-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126096253
(1R,2S,6S,7S)-4-[2-chloro-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11871296
5-amino-1-(2-ethoxyphenyl)-2-methylpyridin-4-one
CID 82467325
(1R,2R,6S,7S)-4-[2-chloro-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1351973
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one?
The IUPAC name of 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one (CID 82467328) is 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one.
What is the SMILES notation for 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one?
The canonical SMILES for 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one is Cc1cc(=O)c(N)cn1-c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one?
The InChIKey is XWJVWNUZFQQSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-7-4-12(20)10(18)6-19(7)11-5-8(13(15,16)17)2-3-9(11)14/h2-6H,18H2,1H3.
What are the key properties of 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one?
5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one has a molecular weight of 302.68 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one is sourced from PubChem (CID 82467328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).