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

C8H7F5N2O — CID 118853573

IUPAC6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H7F5N2O/c9-7(10)6-3(8(11,12)13)1-5(16)15-4(6)2-14/h1,7H,2,14H2,(H,15,16)
InChIKeyGAQHZPLYIOUDSI-UHFFFAOYSA-N
MW242.15 g/mol
LogP1.79
Rot. Bonds2

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

6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118853573) has the molecular formula C8H7F5N2O and a molecular weight of 242.15 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118853573
Molecular FormulaC8H7F5N2O
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H7F5N2O/c9-7(10)6-3(8(11,12)13)1-5(16)15-4(6)2-14/h1,7H,2,14H2,(H,15,16)
InChIKeyGAQHZPLYIOUDSI-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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Related Compounds

6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 118808520
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959
ethyl 3-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carboxylate
CID 133102469
6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770
2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 118842576
6-(chloromethyl)-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 118843765
4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
4-amino-6-(bromomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104697
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
2-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076708

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 118853573) is 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is NCc1[nH]c(=O)cc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GAQHZPLYIOUDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O/c9-7(10)6-3(8(11,12)13)1-5(16)15-4(6)2-14/h1,7H,2,14H2,(H,15,16).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
6-(aminomethyl)-5-(difluoromethyl)-4-(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 6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118853573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).