2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride

C8H10Cl2N4 — CID 21396684

IUPAC2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccccc1Cl
InChIInChI=1S/C8H9ClN4.ClH/c9-7-4-2-1-3-6(7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
InChIKeyJVYSPIAJJZIYGP-NKPNRJPBSA-N
MW233.10 g/mol
LogP1.37
Rot. Bonds2

About 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride

2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 21396684) has the molecular formula C8H10Cl2N4 and a molecular weight of 233.10 g/mol. Its IUPAC name is 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride
PubChem CID21396684
Molecular FormulaC8H10Cl2N4
Molecular Weight233.10 g/mol
Exact Mass232.03
IUPAC Name2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1ccccc1Cl
InChIInChI=1S/C8H9ClN4.ClH/c9-7-4-2-1-3-6(7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;
InChIKeyJVYSPIAJJZIYGP-NKPNRJPBSA-N
XLogP1.37
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride (CID 21396684) is 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1ccccc1Cl.
What is the InChIKey of 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is JVYSPIAJJZIYGP-NKPNRJPBSA-N. The full InChI is InChI=1S/C8H9ClN4.ClH/c9-7-4-2-1-3-6(7)5-12-13-8(10)11;/h1-5H,(H4,10,11,13);1H/b12-5+;.
What are the key properties of 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride?
2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 233.10 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 21396684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).