3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one

C10H14F2N2O — CID 121440157

IUPAC3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
SMILESCCC(F)(F)c1cc(C)[nH]c(=O)c1CN
InChIInChI=1S/C10H14F2N2O/c1-3-10(11,12)8-4-6(2)14-9(15)7(8)5-13/h4H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyCJZRGGUVMCDJBC-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.64
Rot. Bonds3

About 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one

3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one (PubChem CID 121440157) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
PubChem CID121440157
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
SMILESCCC(F)(F)c1cc(C)[nH]c(=O)c1CN
InChIInChI=1S/C10H14F2N2O/c1-3-10(11,12)8-4-6(2)14-9(15)7(8)5-13/h4H,3,5,13H2,1-2H3,(H,14,15)
InChIKeyCJZRGGUVMCDJBC-UHFFFAOYSA-N
XLogP1.64
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one (CID 121440157) is 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one is CCC(F)(F)c1cc(C)[nH]c(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is CJZRGGUVMCDJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-3-10(11,12)8-4-6(2)14-9(15)7(8)5-13/h4H,3,5,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one?
3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 216.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 121440157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).