2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine

C15H15F3N4 — CID 71548859

IUPAC2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCc1cc(C)nc(/N=C(\N)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H15F3N4/c1-9-7-10(2)20-13(8-9)22-14(19)21-12-6-4-3-5-11(12)15(16,17)18/h3-8H,1-2H3,(H3,19,20,21,22)
InChIKeyFNXNPLCKXXQPBX-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.78
Rot. Bonds2

About 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine

2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 71548859) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine
PubChem CID71548859
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCc1cc(C)nc(/N=C(\N)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H15F3N4/c1-9-7-10(2)20-13(8-9)22-14(19)21-12-6-4-3-5-11(12)15(16,17)18/h3-8H,1-2H3,(H3,19,20,21,22)
InChIKeyFNXNPLCKXXQPBX-UHFFFAOYSA-N
XLogP3.78
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.78
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 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine (CID 71548859) is 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine is Cc1cc(C)nc(/N=C(\N)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is FNXNPLCKXXQPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c1-9-7-10(2)20-13(8-9)22-14(19)21-12-6-4-3-5-11(12)15(16,17)18/h3-8H,1-2H3,(H3,19,20,21,22).
What are the key properties of 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine?
2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 308.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 71548859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).