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

C8H11FN2O — CID 164554651

IUPAC3-amino-1-(1-fluoropropyl)pyridin-2-one
SMILESCCC(F)n1cccc(N)c1=O
InChIInChI=1S/C8H11FN2O/c1-2-7(9)11-5-3-4-6(10)8(11)12/h3-5,7H,2,10H2,1H3
InChIKeyMVWQNIWGCCAXIL-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.31
Rot. Bonds2

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

3-amino-1-(1-fluoropropyl)pyridin-2-one (PubChem CID 164554651) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-amino-1-(1-fluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-fluoropropyl)pyridin-2-one
PubChem CID164554651
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-amino-1-(1-fluoropropyl)pyridin-2-one
SMILESCCC(F)n1cccc(N)c1=O
InChIInChI=1S/C8H11FN2O/c1-2-7(9)11-5-3-4-6(10)8(11)12/h3-5,7H,2,10H2,1H3
InChIKeyMVWQNIWGCCAXIL-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-fluoropropyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(1-fluoropropyl)pyridin-2-one (CID 164554651) is 3-amino-1-(1-fluoropropyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(1-fluoropropyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(1-fluoropropyl)pyridin-2-one is CCC(F)n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-(1-fluoropropyl)pyridin-2-one?
The InChIKey is MVWQNIWGCCAXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-2-7(9)11-5-3-4-6(10)8(11)12/h3-5,7H,2,10H2,1H3.
What are the key properties of 3-amino-1-(1-fluoropropyl)pyridin-2-one?
3-amino-1-(1-fluoropropyl)pyridin-2-one has a molecular weight of 170.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-fluoropropyl)pyridin-2-one is sourced from PubChem (CID 164554651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).