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

C6H7BrN4 — CID 10262708

IUPAC2-(5-bromo-2-pyridinyl)guanidine
SMILESNC(N)=Nc1ccc(Br)cn1
InChIInChI=1S/C6H7BrN4/c7-4-1-2-5(10-3-4)11-6(8)9/h1-3H,(H4,8,9,10,11)
InChIKeyIEXYVCGMEAVGCW-UHFFFAOYSA-N
MW215.05 g/mol
LogP0.75
Rot. Bonds1

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

2-(5-bromo-2-pyridinyl)guanidine (PubChem CID 10262708) has the molecular formula C6H7BrN4 and a molecular weight of 215.05 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)guanidine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)guanidine
PubChem CID10262708
Molecular FormulaC6H7BrN4
Molecular Weight215.05 g/mol
Exact Mass213.99
IUPAC Name2-(5-bromo-2-pyridinyl)guanidine
SMILESNC(N)=Nc1ccc(Br)cn1
InChIInChI=1S/C6H7BrN4/c7-4-1-2-5(10-3-4)11-6(8)9/h1-3H,(H4,8,9,10,11)
InChIKeyIEXYVCGMEAVGCW-UHFFFAOYSA-N
XLogP0.75
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 50.75
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-(5-bromo-2-pyridinyl)guanidine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)guanidine (CID 10262708) is 2-(5-bromo-2-pyridinyl)guanidine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)guanidine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)guanidine is NC(N)=Nc1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)guanidine?
The InChIKey is IEXYVCGMEAVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4/c7-4-1-2-5(10-3-4)11-6(8)9/h1-3H,(H4,8,9,10,11).
What are the key properties of 2-(5-bromo-2-pyridinyl)guanidine?
2-(5-bromo-2-pyridinyl)guanidine has a molecular weight of 215.05 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)guanidine is sourced from PubChem (CID 10262708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).