3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one

C8H6F6N2O2 — CID 134664492

IUPAC3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(OC(F)(F)F)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H6F6N2O2/c9-7(10,11)5-4(18-8(12,13)14)1-3(2-15)6(17)16-5/h1H,2,15H2,(H,16,17)
InChIKeyFMBRZSZJCQQTIG-UHFFFAOYSA-N
MW276.14 g/mol
LogP1.75
Rot. Bonds2

About 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 134664492) has the molecular formula C8H6F6N2O2 and a molecular weight of 276.14 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID134664492
Molecular FormulaC8H6F6N2O2
Molecular Weight276.14 g/mol
Exact Mass276.03
IUPAC Name3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(OC(F)(F)F)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H6F6N2O2/c9-7(10,11)5-4(18-8(12,13)14)1-3(2-15)6(17)16-5/h1H,2,15H2,(H,16,17)
InChIKeyFMBRZSZJCQQTIG-UHFFFAOYSA-N
XLogP1.75
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(aminomethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134666956
5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 131614035
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 131614037
methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-[3-(aminomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 134681343
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806796
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
2-[6-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetonitrile
CID 118826793
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
5-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 134680411

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 134664492) is 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one is NCc1cc(OC(F)(F)F)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FMBRZSZJCQQTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O2/c9-7(10,11)5-4(18-8(12,13)14)1-3(2-15)6(17)16-5/h1H,2,15H2,(H,16,17).
What are the key properties of 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 276.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 134664492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).