3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one

C9H11F3N2O — CID 115513885

IUPAC3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one
SMILESNc1cccn(CCCC(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)4-2-6-14-5-1-3-7(13)8(14)15/h1,3,5H,2,4,6,13H2
InChIKeyVPZDOHMHBUSPAE-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one

3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one (PubChem CID 115513885) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one
PubChem CID115513885
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one
SMILESNc1cccn(CCCC(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)4-2-6-14-5-1-3-7(13)8(14)15/h1,3,5H,2,4,6,13H2
InChIKeyVPZDOHMHBUSPAE-UHFFFAOYSA-N
XLogP1.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
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5-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 60922538
3-Amino-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridin-2-one
CID 62101459
3-Amino-1-(1-methylethyl)-2(1H)-pyridinone
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3-Amino-1-(difluoromethyl)-1,2-dihydropyridin-2-one
CID 97354660
3-Amino-1-cyclobutyl-1,2-dihydropyridin-2-one
CID 105432457
3-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 62101956
3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 137942513
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one (CID 115513885) is 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one is Nc1cccn(CCCC(F)(F)F)c1=O.
What is the InChIKey of 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one?
The InChIKey is VPZDOHMHBUSPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)4-2-6-14-5-1-3-7(13)8(14)15/h1,3,5H,2,4,6,13H2.
What are the key properties of 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one?
3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4,4-trifluorobutyl)pyridin-2-one is sourced from PubChem (CID 115513885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).