2-(6-chloro-3-pyridinyl)guanidine;hydroiodide

C6H8ClIN4 — CID 130650578

IUPAC2-(6-chloro-3-pyridinyl)guanidine;hydroiodide
SMILESI.NC(N)=Nc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN4.HI/c7-5-2-1-4(3-10-5)11-6(8)9;/h1-3H,(H4,8,9,11);1H
InChIKeyBDMLTQILFCMQKA-UHFFFAOYSA-N
MW298.52 g/mol
LogP1.26
Rot. Bonds1

About 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide

2-(6-chloro-3-pyridinyl)guanidine;hydroiodide (PubChem CID 130650578) has the molecular formula C6H8ClIN4 and a molecular weight of 298.52 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)guanidine;hydroiodide
PubChem CID130650578
Molecular FormulaC6H8ClIN4
Molecular Weight298.52 g/mol
Exact Mass297.95
IUPAC Name2-(6-chloro-3-pyridinyl)guanidine;hydroiodide
SMILESI.NC(N)=Nc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN4.HI/c7-5-2-1-4(3-10-5)11-6(8)9;/h1-3H,(H4,8,9,11);1H
InChIKeyBDMLTQILFCMQKA-UHFFFAOYSA-N
XLogP1.26
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 51.26
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide (CID 130650578) is 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide is I.NC(N)=Nc1ccc(Cl)nc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide?
The InChIKey is BDMLTQILFCMQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4.HI/c7-5-2-1-4(3-10-5)11-6(8)9;/h1-3H,(H4,8,9,11);1H.
What are the key properties of 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide?
2-(6-chloro-3-pyridinyl)guanidine;hydroiodide has a molecular weight of 298.52 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)guanidine;hydroiodide is sourced from PubChem (CID 130650578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).