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

C9H13FN2O — CID 107017514

IUPAC3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one
SMILESNCc1cccn(CCCF)c1=O
InChIInChI=1S/C9H13FN2O/c10-4-2-6-12-5-1-3-8(7-11)9(12)13/h1,3,5H,2,4,6-7,11H2
InChIKeyVPTNMOJMCLFVAN-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.67
Rot. Bonds4

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

3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one (PubChem CID 107017514) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one
PubChem CID107017514
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one
SMILESNCc1cccn(CCCF)c1=O
InChIInChI=1S/C9H13FN2O/c10-4-2-6-12-5-1-3-8(7-11)9(12)13/h1,3,5H,2,4,6-7,11H2
InChIKeyVPTNMOJMCLFVAN-UHFFFAOYSA-N
XLogP0.67
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one (CID 107017514) is 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one is NCc1cccn(CCCF)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one?
The InChIKey is VPTNMOJMCLFVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c10-4-2-6-12-5-1-3-8(7-11)9(12)13/h1,3,5H,2,4,6-7,11H2.
What are the key properties of 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one?
3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one has a molecular weight of 184.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-fluoropropyl)pyridin-2-one is sourced from PubChem (CID 107017514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).