2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid

C8H9F3N4O2 — CID 126535112

IUPAC2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid
SMILESNC(N)=Nc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N4.C2HF3O2/c7-6(8)10-5-3-1-2-4-9-5;3-2(4,5)1(6)7/h1-4H,(H4,7,8,9,10);(H,6,7)
InChIKeyGZXJEBTUYWUAEG-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.62
Rot. Bonds1

About 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid

2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid (PubChem CID 126535112) has the molecular formula C8H9F3N4O2 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid
PubChem CID126535112
Molecular FormulaC8H9F3N4O2
Molecular Weight250.18 g/mol
Exact Mass250.07
IUPAC Name2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid
SMILESNC(N)=Nc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N4.C2HF3O2/c7-6(8)10-5-3-1-2-4-9-5;3-2(4,5)1(6)7/h1-4H,(H4,7,8,9,10);(H,6,7)
InChIKeyGZXJEBTUYWUAEG-UHFFFAOYSA-N
XLogP0.62
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid (CID 126535112) is 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid is NC(N)=Nc1ccccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid?
The InChIKey is GZXJEBTUYWUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4.C2HF3O2/c7-6(8)10-5-3-1-2-4-9-5;3-2(4,5)1(6)7/h1-4H,(H4,7,8,9,10);(H,6,7).
What are the key properties of 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid?
2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid has a molecular weight of 250.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylguanidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126535112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).