2-pyridin-3-ylguanidine

C6H8N4 — CID 10419235

IUPAC2-pyridin-3-ylguanidine
SMILESNC(N)=Nc1cccnc1
InChIInChI=1S/C6H8N4/c7-6(8)10-5-2-1-3-9-4-5/h1-4H,(H4,7,8,10)
InChIKeyUHLKYVNSNIWKGX-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.01
Rot. Bonds1

About 2-pyridin-3-ylguanidine

2-pyridin-3-ylguanidine (PubChem CID 10419235) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-pyridin-3-ylguanidine.

Molecular Properties

Compound Name2-pyridin-3-ylguanidine
PubChem CID10419235
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-pyridin-3-ylguanidine
SMILESNC(N)=Nc1cccnc1
InChIInChI=1S/C6H8N4/c7-6(8)10-5-2-1-3-9-4-5/h1-4H,(H4,7,8,10)
InChIKeyUHLKYVNSNIWKGX-UHFFFAOYSA-N
XLogP-0.01
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.01
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-pyridin-3-ylguanidine?
The IUPAC name of 2-pyridin-3-ylguanidine (CID 10419235) is 2-pyridin-3-ylguanidine.
What is the SMILES notation for 2-pyridin-3-ylguanidine?
The canonical SMILES for 2-pyridin-3-ylguanidine is NC(N)=Nc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylguanidine?
The InChIKey is UHLKYVNSNIWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-6(8)10-5-2-1-3-9-4-5/h1-4H,(H4,7,8,10).
What are the key properties of 2-pyridin-3-ylguanidine?
2-pyridin-3-ylguanidine has a molecular weight of 136.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylguanidine is sourced from PubChem (CID 10419235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).