2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one

C7H8F3N3O2 — CID 119023237

IUPAC2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1c(N)[nH]cc(OC(F)(F)F)c1=O
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)15-4-2-13-6(12)3(1-11)5(4)14/h2H,1,11H2,(H3,12,13,14)
InChIKeySEALIQAITCUJPU-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.31
Rot. Bonds2

About 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one

2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 119023237) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID119023237
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1c(N)[nH]cc(OC(F)(F)F)c1=O
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)15-4-2-13-6(12)3(1-11)5(4)14/h2H,1,11H2,(H3,12,13,14)
InChIKeySEALIQAITCUJPU-UHFFFAOYSA-N
XLogP0.31
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134666451
3-(bromomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666722
2-[3-(aminomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 134681343
5-amino-4-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 133086208
3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111102
3-(chloromethyl)-2-nitro-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134662680
methyl 3-(chloromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylate
CID 134662273
3-bromo-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 131443395
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 131614037
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 118816283
6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118808776
4-(bromomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134662109

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 119023237) is 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one is NCc1c(N)[nH]cc(OC(F)(F)F)c1=O.
What is the InChIKey of 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is SEALIQAITCUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)15-4-2-13-6(12)3(1-11)5(4)14/h2H,1,11H2,(H3,12,13,14).
What are the key properties of 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one?
2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 223.15 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 119023237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).