3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one

C7H9FN2O — CID 105430461

IUPAC3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(CN)cc1F
InChIInChI=1S/C7H9FN2O/c1-4-6(8)2-5(3-9)7(11)10-4/h2H,3,9H2,1H3,(H,10,11)
InChIKeyFRLXBYZPEYBCQR-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.28
Rot. Bonds1

About 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one

3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one (PubChem CID 105430461) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one
PubChem CID105430461
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(CN)cc1F
InChIInChI=1S/C7H9FN2O/c1-4-6(8)2-5(3-9)7(11)10-4/h2H,3,9H2,1H3,(H,10,11)
InChIKeyFRLXBYZPEYBCQR-UHFFFAOYSA-N
XLogP0.28
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one (CID 105430461) is 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(CN)cc1F.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one?
The InChIKey is FRLXBYZPEYBCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4-6(8)2-5(3-9)7(11)10-4/h2H,3,9H2,1H3,(H,10,11).
What are the key properties of 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one?
3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one has a molecular weight of 156.16 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 105430461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).