3,5-dichlorobenzenecarboximidamide

C7H6Cl2N2 — CID 2743160

IUPAC3,5-dichlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H6Cl2N2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H3,10,11)
InChIKeyQJOTULWNKIGVIQ-UHFFFAOYSA-N
MW189.05 g/mol
LogP2.28
Rot. Bonds1

About 3,5-dichlorobenzenecarboximidamide

3,5-dichlorobenzenecarboximidamide (PubChem CID 2743160) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.05 g/mol. Its IUPAC name is 3,5-dichlorobenzenecarboximidamide.

Molecular Properties

Compound Name3,5-dichlorobenzenecarboximidamide
PubChem CID2743160
Molecular FormulaC7H6Cl2N2
Molecular Weight189.05 g/mol
Exact Mass187.99
IUPAC Name3,5-dichlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H6Cl2N2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H3,10,11)
InChIKeyQJOTULWNKIGVIQ-UHFFFAOYSA-N
XLogP2.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.28
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?
The IUPAC name of 3,5-dichlorobenzenecarboximidamide (CID 2743160) is 3,5-dichlorobenzenecarboximidamide.
What is the SMILES notation for 3,5-dichlorobenzenecarboximidamide?
The canonical SMILES for 3,5-dichlorobenzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichlorobenzenecarboximidamide?
The InChIKey is QJOTULWNKIGVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H3,10,11).
What are the key properties of 3,5-dichlorobenzenecarboximidamide?
3,5-dichlorobenzenecarboximidamide has a molecular weight of 189.05 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorobenzenecarboximidamide is sourced from PubChem (CID 2743160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).