4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

C8H8F3N5O2 — CID 134466815

IUPAC4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(N=[N+]=[N-])cc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C8H8F3N5O2/c1-13-6-4(14-15-12)3-5(8(9,10)11)16(18-2)7(6)17/h3,13H,1-2H3
InChIKeyIWYKIXSIMXAIFI-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.91
Rot. Bonds3

About 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 134466815) has the molecular formula C8H8F3N5O2 and a molecular weight of 263.18 g/mol. Its IUPAC name is 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
PubChem CID134466815
Molecular FormulaC8H8F3N5O2
Molecular Weight263.18 g/mol
Exact Mass263.06
IUPAC Name4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1c(N=[N+]=[N-])cc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C8H8F3N5O2/c1-13-6-4(14-15-12)3-5(8(9,10)11)16(18-2)7(6)17/h3,13H,1-2H3
InChIKeyIWYKIXSIMXAIFI-UHFFFAOYSA-N
XLogP1.91
TPSA92.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (CID 134466815) is 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is CNc1c(N=[N+]=[N-])cc(C(F)(F)F)n(OC)c1=O.
What is the InChIKey of 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is IWYKIXSIMXAIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O2/c1-13-6-4(14-15-12)3-5(8(9,10)11)16(18-2)7(6)17/h3,13H,1-2H3.
What are the key properties of 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 263.18 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134466815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).