2-(pyridin-2-ylmethyl)guanidine

C7H10N4 — CID 13371454

IUPAC2-(pyridin-2-ylmethyl)guanidine
SMILESNC(N)=NCc1ccccn1
InChIInChI=1S/C7H10N4/c8-7(9)11-5-6-3-1-2-4-10-6/h1-4H,5H2,(H4,8,9,11)
InChIKeyLXVKOMHNCDIZPY-UHFFFAOYSA-N
MW150.18 g/mol
LogP-0.14
Rot. Bonds2

About 2-(pyridin-2-ylmethyl)guanidine

2-(pyridin-2-ylmethyl)guanidine (PubChem CID 13371454) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)guanidine
PubChem CID13371454
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name2-(pyridin-2-ylmethyl)guanidine
SMILESNC(N)=NCc1ccccn1
InChIInChI=1S/C7H10N4/c8-7(9)11-5-6-3-1-2-4-10-6/h1-4H,5H2,(H4,8,9,11)
InChIKeyLXVKOMHNCDIZPY-UHFFFAOYSA-N
XLogP-0.14
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.14
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-2-ylmethyl)guanidine?
The IUPAC name of 2-(pyridin-2-ylmethyl)guanidine (CID 13371454) is 2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 2-(pyridin-2-ylmethyl)guanidine is NC(N)=NCc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is LXVKOMHNCDIZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c8-7(9)11-5-6-3-1-2-4-10-6/h1-4H,5H2,(H4,8,9,11).
What are the key properties of 2-(pyridin-2-ylmethyl)guanidine?
2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 150.18 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 13371454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).