5-(trifluoromethyl)pyridine-2-carboximidamide

C7H6F3N3 — CID 2745927

IUPAC5-(trifluoromethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3/c8-7(9,10)4-1-2-5(6(11)12)13-3-4/h1-3H,(H3,11,12)
InChIKeyDNYOORVOOFXTAT-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.38
Rot. Bonds1

About 5-(trifluoromethyl)pyridine-2-carboximidamide

5-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 2745927) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID2745927
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name5-(trifluoromethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3/c8-7(9,10)4-1-2-5(6(11)12)13-3-4/h1-3H,(H3,11,12)
InChIKeyDNYOORVOOFXTAT-UHFFFAOYSA-N
XLogP1.38
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of 5-(trifluoromethyl)pyridine-2-carboximidamide (CID 2745927) is 5-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(trifluoromethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is DNYOORVOOFXTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)4-1-2-5(6(11)12)13-3-4/h1-3H,(H3,11,12).
What are the key properties of 5-(trifluoromethyl)pyridine-2-carboximidamide?
5-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 189.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 2745927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).