2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide

C12H16F3N3O — CID 79877400

IUPAC2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1OC(C)(C)CC
InChIInChI=1S/C12H16F3N3O/c1-4-11(2,3)19-10-7(9(16)17)5-6-8(18-10)12(13,14)15/h5-6H,4H2,1-3H3,(H3,16,17)
InChIKeyLWVMKXCFHAAWKB-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877400) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877400
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1OC(C)(C)CC
InChIInChI=1S/C12H16F3N3O/c1-4-11(2,3)19-10-7(9(16)17)5-6-8(18-10)12(13,14)15/h5-6H,4H2,1-3H3,(H3,16,17)
InChIKeyLWVMKXCFHAAWKB-UHFFFAOYSA-N
XLogP2.95
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333
2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877396
2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877401
2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875024
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875010
2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877125
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875005
2-[2-hydroxyethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877260
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877127
2-[3-hydroxypropyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874812
2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750158
2-(3-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877400) is 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1OC(C)(C)CC.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is LWVMKXCFHAAWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-4-11(2,3)19-10-7(9(16)17)5-6-8(18-10)12(13,14)15/h5-6H,4H2,1-3H3,(H3,16,17).
What are the key properties of 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 275.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).