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

C7H8F3N3O2 — CID 119008377

IUPAC2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OC(F)(F)F)c(N)[nH]1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)15-5-4(14)1-3(2-11)13-6(5)12/h1H,2,11H2,(H3,12,13,14)
InChIKeyFPAPPOTZUNIOOB-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.31
Rot. Bonds2

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

2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 119008377) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID119008377
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1cc(=O)c(OC(F)(F)F)c(N)[nH]1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)15-5-4(14)1-3(2-11)13-6(5)12/h1H,2,11H2,(H3,12,13,14)
InChIKeyFPAPPOTZUNIOOB-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

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CID 118803269
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CID 118808677
CID 118808677
CID 118819949
CID 118819949
CID 118825725
CID 118825725
CID 118842645
CID 118842645
CID 118848254
CID 118848254
CID 118996110
CID 118996110
CID 119009923
CID 119009923
CID 130083195
CID 130083195
CID 130083196
CID 130083196
CID 130111172
CID 130111172

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 119008377) is 2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is NCc1cc(=O)c(OC(F)(F)F)c(N)[nH]1.
What is the InChIKey of 2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is FPAPPOTZUNIOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)15-5-4(14)1-3(2-11)13-6(5)12/h1H,2,11H2,(H3,12,13,14).
What are the key properties of 2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-amino-6-(aminomethyl)-3-(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-6-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 119008377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).