1-cyano-2-(2,5-dichlorophenyl)guanidine

C8H6Cl2N4 — CID 2825777

IUPAC1-cyano-2-(2,5-dichlorophenyl)guanidine
SMILESN#CN/C(N)=N/c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H6Cl2N4/c9-5-1-2-6(10)7(3-5)14-8(12)13-4-11/h1-3H,(H3,12,13,14)
InChIKeyONDAEJZGSYXDQX-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.01
Rot. Bonds1

About 1-cyano-2-(2,5-dichlorophenyl)guanidine

1-cyano-2-(2,5-dichlorophenyl)guanidine (PubChem CID 2825777) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-cyano-2-(2,5-dichlorophenyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(2,5-dichlorophenyl)guanidine
PubChem CID2825777
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name1-cyano-2-(2,5-dichlorophenyl)guanidine
SMILESN#CN/C(N)=N/c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H6Cl2N4/c9-5-1-2-6(10)7(3-5)14-8(12)13-4-11/h1-3H,(H3,12,13,14)
InChIKeyONDAEJZGSYXDQX-UHFFFAOYSA-N
XLogP2.01
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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 1-cyano-2-(2,5-dichlorophenyl)guanidine?
The IUPAC name of 1-cyano-2-(2,5-dichlorophenyl)guanidine (CID 2825777) is 1-cyano-2-(2,5-dichlorophenyl)guanidine.
What is the SMILES notation for 1-cyano-2-(2,5-dichlorophenyl)guanidine?
The canonical SMILES for 1-cyano-2-(2,5-dichlorophenyl)guanidine is N#CN/C(N)=N/c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-cyano-2-(2,5-dichlorophenyl)guanidine?
The InChIKey is ONDAEJZGSYXDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c9-5-1-2-6(10)7(3-5)14-8(12)13-4-11/h1-3H,(H3,12,13,14).
What are the key properties of 1-cyano-2-(2,5-dichlorophenyl)guanidine?
1-cyano-2-(2,5-dichlorophenyl)guanidine has a molecular weight of 229.07 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2,5-dichlorophenyl)guanidine is sourced from PubChem (CID 2825777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).