2-(6-bromo-2-pyridinyl)guanidine;hydrochloride

C6H8BrClN4 — CID 168975342

IUPAC2-(6-bromo-2-pyridinyl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1cccc(Br)n1
InChIInChI=1S/C6H7BrN4.ClH/c7-4-2-1-3-5(10-4)11-6(8)9;/h1-3H,(H4,8,9,10,11);1H
InChIKeyHYKYWUAQZKTRDN-UHFFFAOYSA-N
MW251.51 g/mol
LogP1.17
Rot. Bonds1

About 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride

2-(6-bromo-2-pyridinyl)guanidine;hydrochloride (PubChem CID 168975342) has the molecular formula C6H8BrClN4 and a molecular weight of 251.51 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)guanidine;hydrochloride
PubChem CID168975342
Molecular FormulaC6H8BrClN4
Molecular Weight251.51 g/mol
Exact Mass249.96
IUPAC Name2-(6-bromo-2-pyridinyl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1cccc(Br)n1
InChIInChI=1S/C6H7BrN4.ClH/c7-4-2-1-3-5(10-4)11-6(8)9;/h1-3H,(H4,8,9,10,11);1H
InChIKeyHYKYWUAQZKTRDN-UHFFFAOYSA-N
XLogP1.17
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride?
The IUPAC name of 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride (CID 168975342) is 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride is Cl.NC(N)=Nc1cccc(Br)n1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride?
The InChIKey is HYKYWUAQZKTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4.ClH/c7-4-2-1-3-5(10-4)11-6(8)9;/h1-3H,(H4,8,9,10,11);1H.
What are the key properties of 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride?
2-(6-bromo-2-pyridinyl)guanidine;hydrochloride has a molecular weight of 251.51 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)guanidine;hydrochloride is sourced from PubChem (CID 168975342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).