2-(3-bromo-5-chloro-2-pyridinyl)guanidine

C6H6BrClN4 — CID 10131165

IUPAC2-(3-bromo-5-chloro-2-pyridinyl)guanidine
SMILESNC(N)=Nc1ncc(Cl)cc1Br
InChIInChI=1S/C6H6BrClN4/c7-4-1-3(8)2-11-5(4)12-6(9)10/h1-2H,(H4,9,10,11,12)
InChIKeyZHTJJARQXVNWMM-UHFFFAOYSA-N
MW249.50 g/mol
LogP1.40
Rot. Bonds1

About 2-(3-bromo-5-chloro-2-pyridinyl)guanidine

2-(3-bromo-5-chloro-2-pyridinyl)guanidine (PubChem CID 10131165) has the molecular formula C6H6BrClN4 and a molecular weight of 249.50 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-pyridinyl)guanidine.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-pyridinyl)guanidine
PubChem CID10131165
Molecular FormulaC6H6BrClN4
Molecular Weight249.50 g/mol
Exact Mass247.95
IUPAC Name2-(3-bromo-5-chloro-2-pyridinyl)guanidine
SMILESNC(N)=Nc1ncc(Cl)cc1Br
InChIInChI=1S/C6H6BrClN4/c7-4-1-3(8)2-11-5(4)12-6(9)10/h1-2H,(H4,9,10,11,12)
InChIKeyZHTJJARQXVNWMM-UHFFFAOYSA-N
XLogP1.40
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.50
LogP ≤ 51.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-pyridinyl)guanidine?
The IUPAC name of 2-(3-bromo-5-chloro-2-pyridinyl)guanidine (CID 10131165) is 2-(3-bromo-5-chloro-2-pyridinyl)guanidine.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-pyridinyl)guanidine?
The canonical SMILES for 2-(3-bromo-5-chloro-2-pyridinyl)guanidine is NC(N)=Nc1ncc(Cl)cc1Br.
What is the InChIKey of 2-(3-bromo-5-chloro-2-pyridinyl)guanidine?
The InChIKey is ZHTJJARQXVNWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN4/c7-4-1-3(8)2-11-5(4)12-6(9)10/h1-2H,(H4,9,10,11,12).
What are the key properties of 2-(3-bromo-5-chloro-2-pyridinyl)guanidine?
2-(3-bromo-5-chloro-2-pyridinyl)guanidine has a molecular weight of 249.50 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-pyridinyl)guanidine is sourced from PubChem (CID 10131165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).