N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide

C9H10F3N3O2 — CID 158227993

IUPACN'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide
SMILESCc1cc(OCC(F)(F)F)cc(/C(N)=N\O)n1
InChIInChI=1S/C9H10F3N3O2/c1-5-2-6(17-4-9(10,11)12)3-7(14-5)8(13)15-16/h2-3,16H,4H2,1H3,(H2,13,15)
InChIKeyGEAQBGDDUKIDOV-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.43
Rot. Bonds3

About N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide

N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide (PubChem CID 158227993) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide
PubChem CID158227993
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide
SMILESCc1cc(OCC(F)(F)F)cc(/C(N)=N\O)n1
InChIInChI=1S/C9H10F3N3O2/c1-5-2-6(17-4-9(10,11)12)3-7(14-5)8(13)15-16/h2-3,16H,4H2,1H3,(H2,13,15)
InChIKeyGEAQBGDDUKIDOV-UHFFFAOYSA-N
XLogP1.43
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide (CID 158227993) is N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide is Cc1cc(OCC(F)(F)F)cc(/C(N)=N\O)n1.
What is the InChIKey of N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide?
The InChIKey is GEAQBGDDUKIDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-5-2-6(17-4-9(10,11)12)3-7(14-5)8(13)15-16/h2-3,16H,4H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide?
N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide has a molecular weight of 249.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-methyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 158227993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).