4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one

C8H7F5N2O — CID 118812228

IUPAC4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H7F5N2O/c9-7(10)5-3(2-14)1-4(16)15-6(5)8(11,12)13/h1,7H,2,14H2,(H,15,16)
InChIKeyQOQHTUGUWQOOTG-UHFFFAOYSA-N
MW242.15 g/mol
LogP1.79
Rot. Bonds2

About 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one

4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118812228) has the molecular formula C8H7F5N2O and a molecular weight of 242.15 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118812228
Molecular FormulaC8H7F5N2O
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H7F5N2O/c9-7(10)5-3(2-14)1-4(16)15-6(5)8(11,12)13/h1,7H,2,14H2,(H,15,16)
InChIKeyQOQHTUGUWQOOTG-UHFFFAOYSA-N
XLogP1.79
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 118812228) is 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is NCc1cc(=O)[nH]c(C(F)(F)F)c1C(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QOQHTUGUWQOOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O/c9-7(10)5-3(2-14)1-4(16)15-6(5)8(11,12)13/h1,7H,2,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 242.15 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118812228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).