3-amino-1-(2-fluoroethyl)pyridin-2-one

C7H9FN2O — CID 80693892

IUPAC3-amino-1-(2-fluoroethyl)pyridin-2-one
SMILESNc1cccn(CCF)c1=O
InChIInChI=1S/C7H9FN2O/c8-3-5-10-4-1-2-6(9)7(10)11/h1-2,4H,3,5,9H2
InChIKeyMQJQYIRGLFBNIB-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.40
Rot. Bonds2

About 3-amino-1-(2-fluoroethyl)pyridin-2-one

3-amino-1-(2-fluoroethyl)pyridin-2-one (PubChem CID 80693892) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-amino-1-(2-fluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-fluoroethyl)pyridin-2-one
PubChem CID80693892
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name3-amino-1-(2-fluoroethyl)pyridin-2-one
SMILESNc1cccn(CCF)c1=O
InChIInChI=1S/C7H9FN2O/c8-3-5-10-4-1-2-6(9)7(10)11/h1-2,4H,3,5,9H2
InChIKeyMQJQYIRGLFBNIB-UHFFFAOYSA-N
XLogP0.40
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoroethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(2-fluoroethyl)pyridin-2-one (CID 80693892) is 3-amino-1-(2-fluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-fluoroethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(2-fluoroethyl)pyridin-2-one is Nc1cccn(CCF)c1=O.
What is the InChIKey of 3-amino-1-(2-fluoroethyl)pyridin-2-one?
The InChIKey is MQJQYIRGLFBNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-3-5-10-4-1-2-6(9)7(10)11/h1-2,4H,3,5,9H2.
What are the key properties of 3-amino-1-(2-fluoroethyl)pyridin-2-one?
3-amino-1-(2-fluoroethyl)pyridin-2-one has a molecular weight of 156.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoroethyl)pyridin-2-one is sourced from PubChem (CID 80693892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).