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

C13H9F4N3O — CID 102747205

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F4N3O/c14-10-2-1-7(5-9(10)13(15,16)17)21-11-6-20-4-3-8(11)12(18)19/h1-6H,(H3,18,19)
InChIKeyBDTYTTBUHYMNAE-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.32
Rot. Bonds3

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

3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide (PubChem CID 102747205) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
PubChem CID102747205
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F4N3O/c14-10-2-1-7(5-9(10)13(15,16)17)21-11-6-20-4-3-8(11)12(18)19/h1-6H,(H3,18,19)
InChIKeyBDTYTTBUHYMNAE-UHFFFAOYSA-N
XLogP3.32
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.32
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-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
CID 102746859
3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
CID 102982094
1-[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 102747358
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
CID 116792854
1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
CID 102747370
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine
CID 102747092
4-[4-fluoro-3-(trifluoromethyl)phenoxy]butanimidamide
CID 102747213
2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
CID 107279513
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide (CID 102747205) is 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide?
The InChIKey is BDTYTTBUHYMNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-10-2-1-7(5-9(10)13(15,16)17)21-11-6-20-4-3-8(11)12(18)19/h1-6H,(H3,18,19).
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide?
3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide has a molecular weight of 299.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 102747205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).