3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one

C8H9F3N2O — CID 39871946

IUPAC3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)ccc(N)c1=O
InChIInChI=1S/C8H9F3N2O/c1-2-13-6(8(9,10)11)4-3-5(12)7(13)14/h3-4H,2,12H2,1H3
InChIKeyRITSFVJFPNZMEP-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.47
Rot. Bonds1

About 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one

3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 39871946) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID39871946
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)ccc(N)c1=O
InChIInChI=1S/C8H9F3N2O/c1-2-13-6(8(9,10)11)4-3-5(12)7(13)14/h3-4H,2,12H2,1H3
InChIKeyRITSFVJFPNZMEP-UHFFFAOYSA-N
XLogP1.47
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 18718035
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CID 39871635
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CID 97354660
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CID 71695441
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CID 62101956
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CID 137942513
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CID 97223378
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CID 18926409
CID 18926409
CID 39871952
CID 39871952
CID 80693892
CID 80693892

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one (CID 39871946) is 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one is CCn1c(C(F)(F)F)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is RITSFVJFPNZMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-2-13-6(8(9,10)11)4-3-5(12)7(13)14/h3-4H,2,12H2,1H3.
What are the key properties of 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one?
3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 39871946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).