3,5-dichlorobenzenecarboximidamide chloride

C7H6Cl3N2- — CID 45108781

IUPAC3,5-dichlorobenzenecarboximidamide chloride
SMILES[Cl-].[H]/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H6Cl2N2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H3,10,11);1H/p-1
InChIKeyFFLPJEKRAYZAMU-UHFFFAOYSA-M
MW224.50 g/mol
LogP-0.72
Rot. Bonds1

About 3,5-dichlorobenzenecarboximidamide chloride

3,5-dichlorobenzenecarboximidamide chloride (PubChem CID 45108781) has the molecular formula C7H6Cl3N2- and a molecular weight of 224.50 g/mol. Its IUPAC name is 3,5-dichlorobenzenecarboximidamide chloride.

Molecular Properties

Compound Name3,5-dichlorobenzenecarboximidamide chloride
PubChem CID45108781
Molecular FormulaC7H6Cl3N2-
Molecular Weight224.50 g/mol
Exact Mass222.96
IUPAC Name3,5-dichlorobenzenecarboximidamide chloride
SMILES[Cl-].[H]/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H6Cl2N2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H3,10,11);1H/p-1
InChIKeyFFLPJEKRAYZAMU-UHFFFAOYSA-M
XLogP-0.72
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.50
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 3,5-dichlorobenzenecarboximidamide chloride?
The IUPAC name of 3,5-dichlorobenzenecarboximidamide chloride (CID 45108781) is 3,5-dichlorobenzenecarboximidamide chloride.
What is the SMILES notation for 3,5-dichlorobenzenecarboximidamide chloride?
The canonical SMILES for 3,5-dichlorobenzenecarboximidamide chloride is [Cl-].[H]/N=C(\N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichlorobenzenecarboximidamide chloride?
The InChIKey is FFLPJEKRAYZAMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6Cl2N2.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H3,10,11);1H/p-1.
What are the key properties of 3,5-dichlorobenzenecarboximidamide chloride?
3,5-dichlorobenzenecarboximidamide chloride has a molecular weight of 224.50 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorobenzenecarboximidamide chloride is sourced from PubChem (CID 45108781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).