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

C13H10F3N3O — CID 62925467

IUPAC4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-2-4-11(9)20-8-5-6-19-10(7-8)12(17)18/h1-7H,(H3,17,18)
InChIKeyBSIKUVCIMCZZFA-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.18
Rot. Bonds3

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

4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide (PubChem CID 62925467) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide
PubChem CID62925467
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-2-4-11(9)20-8-5-6-19-10(7-8)12(17)18/h1-7H,(H3,17,18)
InChIKeyBSIKUVCIMCZZFA-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

4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237
4-(2-ethoxyphenoxy)pyridine-2-carboximidamide
CID 62926158
2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
CID 107279513
4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
CID 62925834
4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide
CID 55157438
4-(2-methoxy-4-methylphenoxy)pyridine-2-carboximidamide
CID 62925806
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 62926157
4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 55155138
3-[3-[(2-carbamimidoyl-4-pyridinyl)oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 58674309
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-[3-[(2-carbamimidoyl-4-pyridinyl)oxy]phenyl]prop-2-enamide
CID 73061209
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide?
The IUPAC name of 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide (CID 62925467) is 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide?
The canonical SMILES for 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(Oc2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide?
The InChIKey is BSIKUVCIMCZZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-2-4-11(9)20-8-5-6-19-10(7-8)12(17)18/h1-7H,(H3,17,18).
What are the key properties of 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide?
4-[2-(trifluoromethyl)phenoxy]pyridine-2-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 4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboximidamide is sourced from PubChem (CID 62925467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).