2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one

C7H7F3N2O2 — CID 102030326

IUPAC2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(N)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C7H7F3N2O2/c1-14-5-3(13)2-4(7(8,9)10)12-6(5)11/h2H,1H3,(H3,11,12,13)
InChIKeyLWIVOEWCERWLKS-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.98
Rot. Bonds1

About 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one

2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 102030326) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID102030326
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(N)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C7H7F3N2O2/c1-14-5-3(13)2-4(7(8,9)10)12-6(5)11/h2H,1H3,(H3,11,12,13)
InChIKeyLWIVOEWCERWLKS-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (CID 102030326) is 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is COc1c(N)[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is LWIVOEWCERWLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-14-5-3(13)2-4(7(8,9)10)12-6(5)11/h2H,1H3,(H3,11,12,13).
What are the key properties of 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 208.14 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 102030326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).