2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid

C8H8F4N4O2 — CID 162645806

IUPAC2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid
SMILESNC(N)=Nc1ccc(F)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H7FN4.C2HF3O2/c7-4-1-2-5(10-3-4)11-6(8)9;3-2(4,5)1(6)7/h1-3H,(H4,8,9,10,11);(H,6,7)
InChIKeyQGNOAUFPXWDNIY-UHFFFAOYSA-N
MW268.17 g/mol
LogP0.76
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid

2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid (PubChem CID 162645806) has the molecular formula C8H8F4N4O2 and a molecular weight of 268.17 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid
PubChem CID162645806
Molecular FormulaC8H8F4N4O2
Molecular Weight268.17 g/mol
Exact Mass268.06
IUPAC Name2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid
SMILESNC(N)=Nc1ccc(F)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H7FN4.C2HF3O2/c7-4-1-2-5(10-3-4)11-6(8)9;3-2(4,5)1(6)7/h1-3H,(H4,8,9,10,11);(H,6,7)
InChIKeyQGNOAUFPXWDNIY-UHFFFAOYSA-N
XLogP0.76
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-fluoropyridine
CID 2737701
Pyridinium trifluoroacetate
CID 309472
2-Amino-3-fluoropyridine
CID 2762809
N-2-pyridinyl-N'-(2,2,2-trifluoroethyl)urea
CID 934533
n-Pyridin-2-yl-guanidine hydrochloride
CID 56840510
N-(2-Pyridyl)glycine
CID 193885
2,2,2-trifluoro-N-(pyridin-2-yl)acetamide
CID 261962
2-[[Hydrazinyl-(2-pyridin-2-ylhydrazinyl)methylidene]amino]acetic acid
CID 10656748
N-2-Pyridinylperfluorobutanamide
CID 3350460
2-Amino-4-fluoropyridine
CID 18327808
3-(pyridin-2-ylamino)propanoic Acid
CID 11983472
N-Pyridin-2-yl-guanidine
CID 13041565

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid (CID 162645806) is 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid is NC(N)=Nc1ccc(F)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid?
The InChIKey is QGNOAUFPXWDNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN4.C2HF3O2/c7-4-1-2-5(10-3-4)11-6(8)9;3-2(4,5)1(6)7/h1-3H,(H4,8,9,10,11);(H,6,7).
What are the key properties of 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid?
2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid has a molecular weight of 268.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)guanidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162645806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).