2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide

C13H10F3N3S — CID 43153741

IUPAC2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1Sc1ccccn1
InChIInChI=1S/C13H10F3N3S/c14-13(15,16)8-4-5-10(9(7-8)12(17)18)20-11-3-1-2-6-19-11/h1-7H,(H3,17,18)
InChIKeyFXGHEBBXEJTZTN-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.54
Rot. Bonds3

About 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide

2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43153741) has the molecular formula C13H10F3N3S and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43153741
Molecular FormulaC13H10F3N3S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC Name2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1Sc1ccccn1
InChIInChI=1S/C13H10F3N3S/c14-13(15,16)8-4-5-10(9(7-8)12(17)18)20-11-3-1-2-6-19-11/h1-7H,(H3,17,18)
InChIKeyFXGHEBBXEJTZTN-UHFFFAOYSA-N
XLogP3.54
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
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 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide (CID 43153741) is 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1Sc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is FXGHEBBXEJTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S/c14-13(15,16)8-4-5-10(9(7-8)12(17)18)20-11-3-1-2-6-19-11/h1-7H,(H3,17,18).
What are the key properties of 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide?
2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 297.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43153741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).