2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid

C9H9F3N2O3 — CID 159370745

IUPAC2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\N)c1ccccc1O
InChIInChI=1S/C7H8N2O.C2HF3O2/c8-7(9)5-3-1-2-4-6(5)10;3-2(4,5)1(6)7/h1-4,10H,(H3,8,9);(H,6,7)
InChIKeyLJSCOIDSAJNMES-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.31
Rot. Bonds1

About 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid

2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid (PubChem CID 159370745) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
PubChem CID159370745
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\N)c1ccccc1O
InChIInChI=1S/C7H8N2O.C2HF3O2/c8-7(9)5-3-1-2-4-6(5)10;3-2(4,5)1(6)7/h1-4,10H,(H3,8,9);(H,6,7)
InChIKeyLJSCOIDSAJNMES-UHFFFAOYSA-N
XLogP1.31
TPSA107.40 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.31
H-Bond Donors ≤ 54
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

acetic acid;2-(trifluoromethyl)benzenecarboximidamide
CID 122360504
pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161312588
furan-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 157143973
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
(4-carbamimidoylphenyl) benzoate;2,2,2-trifluoroacetic acid
CID 167762216
3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
CID 174808236
4-(2-hydroxyphenyl)-1-benzothiophene-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161247886
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
benzene;2-hydroxybenzamide
CID 157085280
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid (CID 159370745) is 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[H]/N=C(\N)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid?
The InChIKey is LJSCOIDSAJNMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C2HF3O2/c8-7(9)5-3-1-2-4-6(5)10;3-2(4,5)1(6)7/h1-4,10H,(H3,8,9);(H,6,7).
What are the key properties of 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid?
2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid has a molecular weight of 250.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159370745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).