2-(pyridin-2-ylmethyl)guanidine;sulfuric acid

C7H12N4O4S — CID 13371455

IUPAC2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
SMILESNC(N)=NCc1ccccn1.O=S(=O)(O)O
InChIInChI=1S/C7H10N4.H2O4S/c8-7(9)11-5-6-3-1-2-4-10-6;1-5(2,3)4/h1-4H,5H2,(H4,8,9,11);(H2,1,2,3,4)
InChIKeyXDNWWNJGHXLXRL-UHFFFAOYSA-N
MW248.26 g/mol
LogP-0.80
Rot. Bonds2

About 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid

2-(pyridin-2-ylmethyl)guanidine;sulfuric acid (PubChem CID 13371455) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
PubChem CID13371455
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Name2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
SMILESNC(N)=NCc1ccccn1.O=S(=O)(O)O
InChIInChI=1S/C7H10N4.H2O4S/c8-7(9)11-5-6-3-1-2-4-10-6;1-5(2,3)4/h1-4H,5H2,(H4,8,9,11);(H2,1,2,3,4)
InChIKeyXDNWWNJGHXLXRL-UHFFFAOYSA-N
XLogP-0.80
TPSA151.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
N'-(pyridin-2-ylmethyl)-2-sulfanylethanimidamide
CID 90668643
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
2-ethylpyridine;methanesulfonic acid
CID 86038816
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid
CID 70436230
ethane;1-(4-methylphenyl)sulfonyl-2-(pyridin-2-ylmethyl)guanidine
CID 142134361
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172
2-(benzenesulfonamido)-3-methyl-N'-(pyridin-2-ylmethyl)butanimidamide
CID 90831382
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine
CID 62362398
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
1-(2-methylpropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110912092

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid?
The IUPAC name of 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid (CID 13371455) is 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid?
The canonical SMILES for 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid is NC(N)=NCc1ccccn1.O=S(=O)(O)O.
What is the InChIKey of 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid?
The InChIKey is XDNWWNJGHXLXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4.H2O4S/c8-7(9)11-5-6-3-1-2-4-10-6;1-5(2,3)4/h1-4H,5H2,(H4,8,9,11);(H2,1,2,3,4).
What are the key properties of 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid?
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid has a molecular weight of 248.26 g/mol, XLogP of -0.80, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)guanidine;sulfuric acid is sourced from PubChem (CID 13371455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).