N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide

C10H12F3N3O2 — CID 77102488

IUPACN'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-5-3-4-7(8(14)16-17)9(15-5)18-6(2)10(11,12)13/h3-4,6,17H,1-2H3,(H2,14,16)
InChIKeySWKUBDLXRGDGSK-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.81
Rot. Bonds3

About N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide

N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide (PubChem CID 77102488) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
PubChem CID77102488
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-5-3-4-7(8(14)16-17)9(15-5)18-6(2)10(11,12)13/h3-4,6,17H,1-2H3,(H2,14,16)
InChIKeySWKUBDLXRGDGSK-UHFFFAOYSA-N
XLogP1.81
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.81
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-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide (CID 77102488) is N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide?
The InChIKey is SWKUBDLXRGDGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-5-3-4-7(8(14)16-17)9(15-5)18-6(2)10(11,12)13/h3-4,6,17H,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide?
N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide has a molecular weight of 263.22 g/mol, XLogP of 1.81, 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-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide is sourced from PubChem (CID 77102488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).