2-pyridin-2-ylguanidine

C6H8N4 — CID 13041565

IUPAC2-pyridin-2-ylguanidine
SMILESNC(N)=Nc1ccccn1
InChIInChI=1S/C6H8N4/c7-6(8)10-5-3-1-2-4-9-5/h1-4H,(H4,7,8,9,10)
InChIKeyNVDXVBPBFJKQJG-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.01
Rot. Bonds1

About 2-pyridin-2-ylguanidine

2-pyridin-2-ylguanidine (PubChem CID 13041565) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-pyridin-2-ylguanidine
PubChem CID13041565
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-pyridin-2-ylguanidine
SMILESNC(N)=Nc1ccccn1
InChIInChI=1S/C6H8N4/c7-6(8)10-5-3-1-2-4-9-5/h1-4H,(H4,7,8,9,10)
InChIKeyNVDXVBPBFJKQJG-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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Related Compounds

Pyridine
CID 1049
2-Aminopyridine
CID 10439
2-Amino-4-methylpyridine
CID 1533
2,6-Diaminopyridine
CID 8861
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
N-2-Pyridylaniline
CID 81130
2,2'-Dipyridylamine
CID 14547
Pyridine-D5
CID 558519
1-(2-Pyridyl)piperazine
CID 94459
N-Phenyl-N'-2-pyridinylurea
CID 221427

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylguanidine?
The IUPAC name of 2-pyridin-2-ylguanidine (CID 13041565) is 2-pyridin-2-ylguanidine.
What is the SMILES notation for 2-pyridin-2-ylguanidine?
The canonical SMILES for 2-pyridin-2-ylguanidine is NC(N)=Nc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylguanidine?
The InChIKey is NVDXVBPBFJKQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-6(8)10-5-3-1-2-4-9-5/h1-4H,(H4,7,8,9,10).
What are the key properties of 2-pyridin-2-ylguanidine?
2-pyridin-2-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-2-ylguanidine is sourced from PubChem (CID 13041565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).