3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one

C8H11FN2O — CID 67124264

IUPAC3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(CN)c(C)c1F
InChIInChI=1S/C8H11FN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h3,10H2,1-2H3,(H,11,12)
InChIKeyGSGIFDHBMRRMRY-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.59
Rot. Bonds1

About 3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one

3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 67124264) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one
PubChem CID67124264
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(CN)c(C)c1F
InChIInChI=1S/C8H11FN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h3,10H2,1-2H3,(H,11,12)
InChIKeyGSGIFDHBMRRMRY-UHFFFAOYSA-N
XLogP0.59
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.59
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-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one (CID 67124264) is 3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(CN)c(C)c1F.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is GSGIFDHBMRRMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h3,10H2,1-2H3,(H,11,12).
What are the key properties of 3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one?
3-(aminomethyl)-5-fluoro-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 170.19 g/mol, XLogP of 0.59, 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-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 67124264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).