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

C7H7F3N2O2 — CID 131096508

IUPAC6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1[nH]c(N)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-3-6(14-7(8,9)10)4(13)2-5(11)12-3/h2H,1H3,(H3,11,12,13)
InChIKeyKEVWEAGVVYANEY-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.16
Rot. Bonds1

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

6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 131096508) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID131096508
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1[nH]c(N)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-3-6(14-7(8,9)10)4(13)2-5(11)12-3/h2H,1H3,(H3,11,12,13)
InChIKeyKEVWEAGVVYANEY-UHFFFAOYSA-N
XLogP1.16
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 131096508) is 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is Cc1[nH]c(N)cc(=O)c1OC(F)(F)F.
What is the InChIKey of 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is KEVWEAGVVYANEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-3-6(14-7(8,9)10)4(13)2-5(11)12-3/h2H,1H3,(H3,11,12,13).
What are the key properties of 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one?
6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 208.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 131096508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).