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

C7H8F3N3O2 — CID 133086204

IUPAC3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1cc(OC(F)(F)F)[nH]c(=O)c1N
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)15-4-1-3(2-11)5(12)6(14)13-4/h1H,2,11-12H2,(H,13,14)
InChIKeyOGDZUXATMMRJAM-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.31
Rot. Bonds2

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

3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 133086204) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID133086204
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1cc(OC(F)(F)F)[nH]c(=O)c1N
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)15-4-1-3(2-11)5(12)6(14)13-4/h1H,2,11-12H2,(H,13,14)
InChIKeyOGDZUXATMMRJAM-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 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 133086204) is 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is NCc1cc(OC(F)(F)F)[nH]c(=O)c1N.
What is the InChIKey of 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is OGDZUXATMMRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)15-4-1-3(2-11)5(12)6(14)13-4/h1H,2,11-12H2,(H,13,14).
What are the key properties of 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
3-amino-4-(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 3-amino-4-(aminomethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 133086204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).