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

C7H7F3N2O — CID 118802980

IUPAC6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(C(F)F)cc1F
InChIInChI=1S/C7H7F3N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyUEUOZQWXQOLFJV-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.91
Rot. Bonds2

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

6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 118802980) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
PubChem CID118802980
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(C(F)F)cc1F
InChIInChI=1S/C7H7F3N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyUEUOZQWXQOLFJV-UHFFFAOYSA-N
XLogP0.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670
5-Amino-3-(trifluoromethyl)pyridin-2(1H)-one
CID 71305235
5-(2,2,2-trifluoroethylamino)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 142728237
6-(Trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 154063306
6-methyl-3-(trifluoromethyl)-1H-pyridin-1-ium-2-one
CID 163718252
6-(Aminomethyl)-4-fluoropyridin-2-OL
CID 72216038
6-(Aminomethyl)-4-(trifluoromethyl)pyridin-2-OL
CID 72216096
3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 82504879
3-(aminomethyl)-5-fluoro-6-methyl-1H-pyridin-2-one
CID 105430461
6-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 105445627
6-(aminomethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 105445629
5-amino-3-(aminomethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 105459818

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one (CID 118802980) is 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is NCc1[nH]c(=O)c(C(F)F)cc1F.
What is the InChIKey of 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is UEUOZQWXQOLFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-4-1-3(6(9)10)7(13)12-5(4)2-11/h1,6H,2,11H2,(H,12,13).
What are the key properties of 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one?
6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 118802980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).