2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide

C11H14F3N3O2 — CID 79877401

IUPAC2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1OC(C)COC
InChIInChI=1S/C11H14F3N3O2/c1-6(5-18-2)19-10-7(9(15)16)3-4-8(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H3,15,16)
InChIKeyGLDKXJRFBIUGJY-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.80
Rot. Bonds5

About 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877401) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877401
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1OC(C)COC
InChIInChI=1S/C11H14F3N3O2/c1-6(5-18-2)19-10-7(9(15)16)3-4-8(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H3,15,16)
InChIKeyGLDKXJRFBIUGJY-UHFFFAOYSA-N
XLogP1.80
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.80
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'}

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Related Compounds

2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877400
2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333
2-(3-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057
2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750158
2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875024
2-[2-hydroxyethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877260
2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877396
2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877125
2-[3-hydroxypropyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874812
2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875370
6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide
CID 79877729
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875005

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877401) is 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1OC(C)COC.
What is the InChIKey of 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is GLDKXJRFBIUGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6(5-18-2)19-10-7(9(15)16)3-4-8(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3,(H3,15,16).
What are the key properties of 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 277.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).