3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide

C14H12F3N3O — CID 62893556

IUPAC3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)10-3-5-11(6-4-10)21-8-9-2-1-7-20-12(9)13(18)19/h1-7H,8H2,(H3,18,19)
InChIKeyQWAXQEBYPCFLHL-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.96
Rot. Bonds4

About 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide

3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide (PubChem CID 62893556) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
PubChem CID62893556
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)10-3-5-11(6-4-10)21-8-9-2-1-7-20-12(9)13(18)19/h1-7H,8H2,(H3,18,19)
InChIKeyQWAXQEBYPCFLHL-UHFFFAOYSA-N
XLogP2.96
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.96
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

3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 83234793
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 81331646
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894740
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
CID 62893552
3-[(4-tert-butylphenoxy)methyl]pyridine-2-carbothioamide
CID 62895645
3-[(2-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
3-[(3-methylsulfonylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894922

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide (CID 62893556) is 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide?
The InChIKey is QWAXQEBYPCFLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)10-3-5-11(6-4-10)21-8-9-2-1-7-20-12(9)13(18)19/h1-7H,8H2,(H3,18,19).
What are the key properties of 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide?
3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide has a molecular weight of 295.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62893556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).