5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one

C9H13FN2O — CID 81105251

IUPAC5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CCCF)cc1N
InChIInChI=1S/C9H13FN2O/c1-7-5-9(13)12(4-2-3-10)6-8(7)11/h5-6H,2-4,11H2,1H3
InChIKeySXBJYUMCQIDNPN-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.10
Rot. Bonds3

About 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one

5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one (PubChem CID 81105251) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one
PubChem CID81105251
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CCCF)cc1N
InChIInChI=1S/C9H13FN2O/c1-7-5-9(13)12(4-2-3-10)6-8(7)11/h5-6H,2-4,11H2,1H3
InChIKeySXBJYUMCQIDNPN-UHFFFAOYSA-N
XLogP1.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one?
The IUPAC name of 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one (CID 81105251) is 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one is Cc1cc(=O)n(CCCF)cc1N.
What is the InChIKey of 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one?
The InChIKey is SXBJYUMCQIDNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7-5-9(13)12(4-2-3-10)6-8(7)11/h5-6H,2-4,11H2,1H3.
What are the key properties of 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one?
5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one has a molecular weight of 184.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-fluoropropyl)-4-methylpyridin-2-one is sourced from PubChem (CID 81105251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).