5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one

C9H11F3N2O — CID 142728235

IUPAC5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)Nc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O/c1-5(2)14-6-3-7(9(10,11)12)8(15)13-4-6/h3-5,14H,1-2H3,(H,13,15)
InChIKeySKWHMKMCTBGOKN-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.21
Rot. Bonds2

About 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one

5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 142728235) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID142728235
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)Nc1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O/c1-5(2)14-6-3-7(9(10,11)12)8(15)13-4-6/h3-5,14H,1-2H3,(H,13,15)
InChIKeySKWHMKMCTBGOKN-UHFFFAOYSA-N
XLogP2.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-3-methyl-1,2-dihydropyridin-2-one hydrochloride
CID 71757320
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
5-Amino-3-methylpyridin-2-ol
CID 62475744
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
CID 66910956
5-Amino-3-(trifluoromethyl)pyridin-2(1H)-one
CID 71305235
5-[bis(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 71565316
5-[2,2,2-trifluoroethyl(1,1,1-trifluoropropan-2-yl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728230
3-(trifluoromethyl)-5-(1,1,1-trifluoropropan-2-ylamino)-1H-pyridin-2-one
CID 142728233
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728234
5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728237
ethane;3-(trifluoromethyl)-1H-pyridin-2-one
CID 143625936

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 142728235) is 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one is CC(C)Nc1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SKWHMKMCTBGOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)14-6-3-7(9(10,11)12)8(15)13-4-6/h3-5,14H,1-2H3,(H,13,15).
What are the key properties of 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one?
5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 142728235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).