2-(3-chlorophenyl)guanidine

C7H8ClN3 — CID 10374840

IUPAC2-(3-chlorophenyl)guanidine
SMILESNC(N)=Nc1cccc(Cl)c1
InChIInChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeyDWLMIHRZURMFAQ-UHFFFAOYSA-N
MW169.62 g/mol
LogP1.24
Rot. Bonds1

About 2-(3-chlorophenyl)guanidine

2-(3-chlorophenyl)guanidine (PubChem CID 10374840) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 2-(3-chlorophenyl)guanidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)guanidine
PubChem CID10374840
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name2-(3-chlorophenyl)guanidine
SMILESNC(N)=Nc1cccc(Cl)c1
InChIInChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeyDWLMIHRZURMFAQ-UHFFFAOYSA-N
XLogP1.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.24
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 2-(3-chlorophenyl)guanidine?
The IUPAC name of 2-(3-chlorophenyl)guanidine (CID 10374840) is 2-(3-chlorophenyl)guanidine.
What is the SMILES notation for 2-(3-chlorophenyl)guanidine?
The canonical SMILES for 2-(3-chlorophenyl)guanidine is NC(N)=Nc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)guanidine?
The InChIKey is DWLMIHRZURMFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11).
What are the key properties of 2-(3-chlorophenyl)guanidine?
2-(3-chlorophenyl)guanidine has a molecular weight of 169.62 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)guanidine is sourced from PubChem (CID 10374840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).