2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide

C11H12F3N3O2 — CID 79876921

IUPAC2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1OCC1CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-4-3-7(9(15)17-18)10(16-8)19-5-6-1-2-6/h3-4,6,18H,1-2,5H2,(H2,15,17)
InChIKeyMMWYPBBTWZVQLU-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.98
Rot. Bonds4

About 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79876921) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79876921
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(C(F)(F)F)nc1OCC1CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-4-3-7(9(15)17-18)10(16-8)19-5-6-1-2-6/h3-4,6,18H,1-2,5H2,(H2,15,17)
InChIKeyMMWYPBBTWZVQLU-UHFFFAOYSA-N
XLogP1.98
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.98
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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Related Compounds

2-Methoxy-6-methyl-N-phenyl-3-pyridinecarboximidamide
CID 3070017
Nicotinamidoxime, 2-methoxy-6-methyl-
CID 9588655
1-(2-Methoxy-6-(trifluoromethyl)pyridin-3-yl)methanamine
CID 58873546
2-(2,6-difluorophenoxy)-N'-(3-fluorophenyl)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 44554798
N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 44554956
N'-hydroxy-2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24710988
2-(cyclopropylmethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43188648
2-(3-fluorophenoxy)-N-hydroxy-N'-(1-methoxypropan-2-yl)-6-methylpyridine-3-carboximidamide
CID 56658229
2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propan-2-ylpyridine-3-carboximidamide
CID 56658363
2-(4-fluorophenoxy)-N-hydroxy-6-methyl-N'-pentan-3-ylpyridine-3-carboximidamide
CID 56658602
2-(3-fluorophenoxy)-N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)pyridine-3-carboximidamide
CID 56658773
2-[(2-fluorophenyl)methoxy]-N-hydroxy-6-methyl-N'-propylpyridine-3-carboximidamide
CID 56658780

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79876921) is 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide is NC(=NO)c1ccc(C(F)(F)F)nc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is MMWYPBBTWZVQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)8-4-3-7(9(15)17-18)10(16-8)19-5-6-1-2-6/h3-4,6,18H,1-2,5H2,(H2,15,17).
What are the key properties of 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 275.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79876921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).