2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide

C12H16F3N3O2 — CID 79877333

IUPAC2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1OCCOCCC
InChIInChI=1S/C12H16F3N3O2/c1-2-5-19-6-7-20-11-8(10(16)17)3-4-9(18-11)12(13,14)15/h3-4H,2,5-7H2,1H3,(H3,16,17)
InChIKeyQSZBSEPWRLVIAZ-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.19
Rot. Bonds7

About 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877333) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877333
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1OCCOCCC
InChIInChI=1S/C12H16F3N3O2/c1-2-5-19-6-7-20-11-8(10(16)17)3-4-9(18-11)12(13,14)15/h3-4H,2,5-7H2,1H3,(H3,16,17)
InChIKeyQSZBSEPWRLVIAZ-UHFFFAOYSA-N
XLogP2.19
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877401
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869695
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-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 115942033
2-(2-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975
2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877396
2-(2-propan-2-yloxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877115
2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877125
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877333) is 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1OCCOCCC.
What is the InChIKey of 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is QSZBSEPWRLVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-2-5-19-6-7-20-11-8(10(16)17)3-4-9(18-11)12(13,14)15/h3-4H,2,5-7H2,1H3,(H3,16,17).
What are the key properties of 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 291.27 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).