2-(3,4,5-trichlorophenyl)guanidine

C7H6Cl3N3 — CID 10243306

IUPAC2-(3,4,5-trichlorophenyl)guanidine
SMILESNC(N)=Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl3N3/c8-4-1-3(13-7(11)12)2-5(9)6(4)10/h1-2H,(H4,11,12,13)
InChIKeyIURKUCAZQFRGML-UHFFFAOYSA-N
MW238.50 g/mol
LogP2.55
Rot. Bonds1

About 2-(3,4,5-trichlorophenyl)guanidine

2-(3,4,5-trichlorophenyl)guanidine (PubChem CID 10243306) has the molecular formula C7H6Cl3N3 and a molecular weight of 238.50 g/mol. Its IUPAC name is 2-(3,4,5-trichlorophenyl)guanidine.

Molecular Properties

Compound Name2-(3,4,5-trichlorophenyl)guanidine
PubChem CID10243306
Molecular FormulaC7H6Cl3N3
Molecular Weight238.50 g/mol
Exact Mass236.96
IUPAC Name2-(3,4,5-trichlorophenyl)guanidine
SMILESNC(N)=Nc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl3N3/c8-4-1-3(13-7(11)12)2-5(9)6(4)10/h1-2H,(H4,11,12,13)
InChIKeyIURKUCAZQFRGML-UHFFFAOYSA-N
XLogP2.55
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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 2-(3,4,5-trichlorophenyl)guanidine?
The IUPAC name of 2-(3,4,5-trichlorophenyl)guanidine (CID 10243306) is 2-(3,4,5-trichlorophenyl)guanidine.
What is the SMILES notation for 2-(3,4,5-trichlorophenyl)guanidine?
The canonical SMILES for 2-(3,4,5-trichlorophenyl)guanidine is NC(N)=Nc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4,5-trichlorophenyl)guanidine?
The InChIKey is IURKUCAZQFRGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3N3/c8-4-1-3(13-7(11)12)2-5(9)6(4)10/h1-2H,(H4,11,12,13).
What are the key properties of 2-(3,4,5-trichlorophenyl)guanidine?
2-(3,4,5-trichlorophenyl)guanidine has a molecular weight of 238.50 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trichlorophenyl)guanidine is sourced from PubChem (CID 10243306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).