2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide

C8H8F3N3O — CID 24699862

IUPAC2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)4-15-7-5(6(12)13)2-1-3-14-7/h1-3H,4H2,(H3,12,13)
InChIKeyOXQBGHOCBCHYTM-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.31
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide

2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide (PubChem CID 24699862) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
PubChem CID24699862
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)4-15-7-5(6(12)13)2-1-3-14-7/h1-3H,4H2,(H3,12,13)
InChIKeyOXQBGHOCBCHYTM-UHFFFAOYSA-N
XLogP1.31
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.31
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-hexoxypyridine-3-carboximidamide
CID 29002899
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-[(4-chlorophenyl)methoxy]pyridine-3-carboximidamide;hydrochloride
CID 82240751
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 43669871
2-(4-tert-butylphenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82253632
2-[(1-methylpyrazol-4-yl)methoxy]pyridine-3-carboximidamide
CID 82253313
2-(2,2,2-trifluoroethoxy)quinoline-4-carboximidamide
CID 63885310
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide (CID 24699862) is 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
The InChIKey is OXQBGHOCBCHYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)4-15-7-5(6(12)13)2-1-3-14-7/h1-3H,4H2,(H3,12,13).
What are the key properties of 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide?
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide has a molecular weight of 219.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 24699862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).