6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide

C15H12Cl3F3N4 — CID 16654991

IUPAC6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide
SMILESC/N=C(\NCC(F)(F)F)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C15H12Cl3F3N4/c1-23-14(24-6-15(19,20)21)11-3-2-8(13(22)25-11)9-4-7(16)5-10(17)12(9)18/h2-5H,6H2,1H3,(H2,22,25)(H,23,24)
InChIKeyUDRLSJMFEZIRDP-UHFFFAOYSA-N
MW411.64 g/mol
LogP4.82
Rot. Bonds3

About 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide

6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide (PubChem CID 16654991) has the molecular formula C15H12Cl3F3N4 and a molecular weight of 411.64 g/mol. Its IUPAC name is 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide
PubChem CID16654991
Molecular FormulaC15H12Cl3F3N4
Molecular Weight411.64 g/mol
Exact Mass410.01
IUPAC Name6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide
SMILESC/N=C(\NCC(F)(F)F)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C15H12Cl3F3N4/c1-23-14(24-6-15(19,20)21)11-3-2-8(13(22)25-11)9-4-7(16)5-10(17)12(9)18/h2-5H,6H2,1H3,(H2,22,25)(H,23,24)
InChIKeyUDRLSJMFEZIRDP-UHFFFAOYSA-N
XLogP4.82
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.64
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide?
The IUPAC name of 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide (CID 16654991) is 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide?
The canonical SMILES for 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide is C/N=C(\NCC(F)(F)F)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1.
What is the InChIKey of 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide?
The InChIKey is UDRLSJMFEZIRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3F3N4/c1-23-14(24-6-15(19,20)21)11-3-2-8(13(22)25-11)9-4-7(16)5-10(17)12(9)18/h2-5H,6H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide?
6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide has a molecular weight of 411.64 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N'-methyl-5-(2,3,5-trichlorophenyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 16654991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).