6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one

C8H9F3N2O3 — CID 134663823

IUPAC6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1c(OC(F)(F)F)[nH]c(CN)cc1=O
InChIInChI=1S/C8H9F3N2O3/c1-15-6-5(14)2-4(3-12)13-7(6)16-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeyMXWOWTNGEGGNQV-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.74
Rot. Bonds3

About 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one

6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 134663823) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID134663823
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1c(OC(F)(F)F)[nH]c(CN)cc1=O
InChIInChI=1S/C8H9F3N2O3/c1-15-6-5(14)2-4(3-12)13-7(6)16-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeyMXWOWTNGEGGNQV-UHFFFAOYSA-N
XLogP0.74
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-2-nitro-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134661463
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
methyl 2-[5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660865
methyl 6-(fluoromethyl)-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134660816
2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134659569
6-(fluoromethyl)-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111986
methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665717
6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111759
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
methyl 6-(bromomethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylate
CID 134681374
ethyl 2-[5-(chloromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664506
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one (CID 134663823) is 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one is COc1c(OC(F)(F)F)[nH]c(CN)cc1=O.
What is the InChIKey of 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is MXWOWTNGEGGNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-15-6-5(14)2-4(3-12)13-7(6)16-8(9,10)11/h2H,3,12H2,1H3,(H,13,14).
What are the key properties of 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one?
6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 238.16 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 134663823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).