pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid

C8H8F3N3O2 — CID 161312588

IUPACpyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\N)c1ccccn1
InChIInChI=1S/C6H7N3.C2HF3O2/c7-6(8)5-3-1-2-4-9-5;3-2(4,5)1(6)7/h1-4H,(H3,7,8);(H,6,7)
InChIKeyVJBWAKTUJKTYRA-UHFFFAOYSA-N
MW235.17 g/mol
LogP1.00
Rot. Bonds1

About pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid

pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid (PubChem CID 161312588) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.17 g/mol. Its IUPAC name is pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
PubChem CID161312588
Molecular FormulaC8H8F3N3O2
Molecular Weight235.17 g/mol
Exact Mass235.06
IUPAC Namepyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\N)c1ccccn1
InChIInChI=1S/C6H7N3.C2HF3O2/c7-6(8)5-3-1-2-4-9-5;3-2(4,5)1(6)7/h1-4H,(H3,7,8);(H,6,7)
InChIKeyVJBWAKTUJKTYRA-UHFFFAOYSA-N
XLogP1.00
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 51.00
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 pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid?
The IUPAC name of pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid (CID 161312588) is pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[H]/N=C(\N)c1ccccn1.
What is the InChIKey of pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid?
The InChIKey is VJBWAKTUJKTYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.C2HF3O2/c7-6(8)5-3-1-2-4-9-5;3-2(4,5)1(6)7/h1-4H,(H3,7,8);(H,6,7).
What are the key properties of pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid?
pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid has a molecular weight of 235.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161312588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).