N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide

C13H10F3N3 — CID 175066088

IUPACN'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=Nc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3N3/c14-13(15,16)10-6-4-9(5-7-10)12(17)19-11-3-1-2-8-18-11/h1-8H,(H2,17,18,19)
InChIKeyGKTUCWFEPLYUMV-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.14
Rot. Bonds2

About N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide

N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 175066088) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID175066088
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC NameN'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=Nc1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3N3/c14-13(15,16)10-6-4-9(5-7-10)12(17)19-11-3-1-2-8-18-11/h1-8H,(H2,17,18,19)
InChIKeyGKTUCWFEPLYUMV-UHFFFAOYSA-N
XLogP3.14
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
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'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide (CID 175066088) is N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide is NC(=Nc1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is GKTUCWFEPLYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c14-13(15,16)10-6-4-9(5-7-10)12(17)19-11-3-1-2-8-18-11/h1-8H,(H2,17,18,19).
What are the key properties of N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide?
N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 265.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 175066088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).