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

C14H12F3N3O — CID 79875024

IUPAC2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1ccccc1C
InChIInChI=1S/C14H12F3N3O/c1-8-4-2-3-5-10(8)21-13-9(12(18)19)6-7-11(20-13)14(15,16)17/h2-7H,1H3,(H3,18,19)
InChIKeyCGEOPWBDAMPGOR-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.49
Rot. Bonds3

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

2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79875024) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79875024
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1ccccc1C
InChIInChI=1S/C14H12F3N3O/c1-8-4-2-3-5-10(8)21-13-9(12(18)19)6-7-11(20-13)14(15,16)17/h2-7H,1H3,(H3,18,19)
InChIKeyCGEOPWBDAMPGOR-UHFFFAOYSA-N
XLogP3.49
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.49
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-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877400
2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333
2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877401
2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875370
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
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-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboximidamide
CID 64855988
5-(2-methylphenoxy)pyridine-2-carboximidamide
CID 113321278

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79875024) is 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1Oc1ccccc1C.
What is the InChIKey of 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is CGEOPWBDAMPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-8-4-2-3-5-10(8)21-13-9(12(18)19)6-7-11(20-13)14(15,16)17/h2-7H,1H3,(H3,18,19).
What are the key properties of 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 295.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79875024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).