5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one

C8H11FN2O — CID 80695348

IUPAC5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CCF)cc1N
InChIInChI=1S/C8H11FN2O/c1-6-4-8(12)11(3-2-9)5-7(6)10/h4-5H,2-3,10H2,1H3
InChIKeyUGBNGIAINIZFAW-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.71
Rot. Bonds2

About 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one

5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one (PubChem CID 80695348) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one
PubChem CID80695348
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CCF)cc1N
InChIInChI=1S/C8H11FN2O/c1-6-4-8(12)11(3-2-9)5-7(6)10/h4-5H,2-3,10H2,1H3
InChIKeyUGBNGIAINIZFAW-UHFFFAOYSA-N
XLogP0.71
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one (CID 80695348) is 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one is Cc1cc(=O)n(CCF)cc1N.
What is the InChIKey of 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one?
The InChIKey is UGBNGIAINIZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-6-4-8(12)11(3-2-9)5-7(6)10/h4-5H,2-3,10H2,1H3.
What are the key properties of 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one?
5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one has a molecular weight of 170.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-fluoroethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 80695348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).