6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide

C13H10F3N3O — CID 43150626

IUPAC6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-2-4-10(5-3-9)20-11-6-1-8(7-19-11)12(17)18/h1-7H,(H3,17,18)
InChIKeyMMHDMLIVSKQHJY-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.18
Rot. Bonds3

About 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide

6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide (PubChem CID 43150626) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
PubChem CID43150626
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-2-4-10(5-3-9)20-11-6-1-8(7-19-11)12(17)18/h1-7H,(H3,17,18)
InChIKeyMMHDMLIVSKQHJY-UHFFFAOYSA-N
XLogP3.18
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.18
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-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 43150625
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
CID 43352096
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
6-(4-bromo-3-methylphenoxy)pyridine-3-carboximidamide
CID 83141115
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
acetic acid;4-(trifluoromethyl)benzenecarboximidamide
CID 67344222
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The IUPAC name of 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide (CID 43150626) is 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The canonical SMILES for 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
The InChIKey is MMHDMLIVSKQHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)9-2-4-10(5-3-9)20-11-6-1-8(7-19-11)12(17)18/h1-7H,(H3,17,18).
What are the key properties of 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide?
6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide has a molecular weight of 281.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 43150626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).