N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide

C7H7F3N4 — CID 2746581

IUPACN'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESNN=C(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N4/c8-7(9,10)4-1-2-5(13-3-4)6(11)14-12/h1-3H,12H2,(H2,11,14)
InChIKeyXMUIHNJDFNILOA-UHFFFAOYSA-N
MW204.16 g/mol
LogP0.68
Rot. Bonds1

About N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide

N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 2746581) has the molecular formula C7H7F3N4 and a molecular weight of 204.16 g/mol. Its IUPAC name is N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID2746581
Molecular FormulaC7H7F3N4
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC NameN'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESNN=C(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N4/c8-7(9,10)4-1-2-5(13-3-4)6(11)14-12/h1-3H,12H2,(H2,11,14)
InChIKeyXMUIHNJDFNILOA-UHFFFAOYSA-N
XLogP0.68
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-4-chlorobenzamide
CID 2746439
N'-amino-5-methylpyridine-2-carboximidamide
CID 81312548
N'-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 2746649
CID 172948847
CID 172948847
N'-amino-5-ethenylpyridine-2-carboximidamide
CID 67961773
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908464
N-(2-amino-2-sulfanylideneethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908476
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115577232
N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide
CID 167712558

Frequently Asked Questions

What is the IUPAC name of N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide (CID 2746581) is N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide is NN=C(N)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is XMUIHNJDFNILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4/c8-7(9,10)4-1-2-5(13-3-4)6(11)14-12/h1-3H,12H2,(H2,11,14).
What are the key properties of N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide?
N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 204.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-5-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 2746581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).