N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide

C13H11F3N4O — CID 175873735

IUPACN'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide
SMILESN/C(=N\O)c1ncccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)8-3-5-9(6-4-8)19-10-2-1-7-18-11(10)12(17)20-21/h1-7,19,21H,(H2,17,20)
InChIKeyLWWLARVEFSLVID-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.94
Rot. Bonds3

About N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide

N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide (PubChem CID 175873735) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide
PubChem CID175873735
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC NameN'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide
SMILESN/C(=N\O)c1ncccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)8-3-5-9(6-4-8)19-10-2-1-7-18-11(10)12(17)20-21/h1-7,19,21H,(H2,17,20)
InChIKeyLWWLARVEFSLVID-UHFFFAOYSA-N
XLogP2.94
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide (CID 175873735) is N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide is N/C(=N\O)c1ncccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide?
The InChIKey is LWWLARVEFSLVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)8-3-5-9(6-4-8)19-10-2-1-7-18-11(10)12(17)20-21/h1-7,19,21H,(H2,17,20).
What are the key properties of N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide?
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide has a molecular weight of 296.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide is sourced from PubChem (CID 175873735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).