4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H8F3N3O2 — CID 118805606

IUPAC4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1c(N)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)15-6-3(2-11)4(12)1-5(14)13-6/h1H,2,11H2,(H3,12,13,14)
InChIKeyZLODQJHPVFUFRH-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.31
Rot. Bonds2

About 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one

4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118805606) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118805606
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1c(N)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)15-6-3(2-11)4(12)1-5(14)13-6/h1H,2,11H2,(H3,12,13,14)
InChIKeyZLODQJHPVFUFRH-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 118805606) is 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is NCc1c(N)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is ZLODQJHPVFUFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)15-6-3(2-11)4(12)1-5(14)13-6/h1H,2,11H2,(H3,12,13,14).
What are the key properties of 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-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 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118805606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).