N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide

C11H14F3N5 — CID 123260094

IUPACN'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide
SMILESCC(C)/N=C(\N)N=C(N)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5/c1-6(2)17-10(16)19-9(15)7-4-3-5-8(18-7)11(12,13)14/h3-6H,1-2H3,(H4,15,16,17,19)
InChIKeyCAECGPRHLXHQMH-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.53
Rot. Bonds2

About N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide

N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 123260094) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID123260094
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC NameN'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide
SMILESCC(C)/N=C(\N)N=C(N)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5/c1-6(2)17-10(16)19-9(15)7-4-3-5-8(18-7)11(12,13)14/h3-6H,1-2H3,(H4,15,16,17,19)
InChIKeyCAECGPRHLXHQMH-UHFFFAOYSA-N
XLogP1.53
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.53
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 N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide (CID 123260094) is N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide is CC(C)/N=C(\N)N=C(N)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is CAECGPRHLXHQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-6(2)17-10(16)19-9(15)7-4-3-5-8(18-7)11(12,13)14/h3-6H,1-2H3,(H4,15,16,17,19).
What are the key properties of N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide?
N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 273.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-propan-2-ylcarbamimidoyl)-6-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 123260094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).