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

C13H10F3N3O — CID 43150625

IUPAC2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-1-3-10(4-2-9)20-11-7-8(12(17)18)5-6-19-11/h1-7H,(H3,17,18)
InChIKeyHKLLXANOPDRKNX-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.18
Rot. Bonds3

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

2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide (PubChem CID 43150625) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
PubChem CID43150625
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-1-3-10(4-2-9)20-11-7-8(12(17)18)5-6-19-11/h1-7H,(H3,17,18)
InChIKeyHKLLXANOPDRKNX-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

6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 43150626
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridine-4-carboximidamide
CID 102722319
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835
2-[(5-chloro-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 64602153
2-(trifluoromethyl)pyridine-4-carboximidamide
CID 119009176
2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
CID 104707813
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
2-(4-bromo-2-fluorophenoxy)pyridine-4-carboximidamide
CID 43123451
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 103174853
2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide
CID 24702895
2-(2,5-dimethylpyrazol-3-yl)oxypyridine-4-carboximidamide
CID 81346153

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide (CID 43150625) is 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide?
The InChIKey is HKLLXANOPDRKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)9-1-3-10(4-2-9)20-11-7-8(12(17)18)5-6-19-11/h1-7H,(H3,17,18).
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide?
2-[4-(trifluoromethyl)phenoxy]pyridine-4-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 2-[4-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 43150625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).