2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid

C8H14N4O4S — CID 70436230

IUPAC2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid
SMILESCC(N=C(N)N)c1ccccn1.O=S(=O)(O)O
InChIInChI=1S/C8H12N4.H2O4S/c1-6(12-8(9)10)7-4-2-3-5-11-7;1-5(2,3)4/h2-6H,1H3,(H4,9,10,12);(H2,1,2,3,4)
InChIKeyKPROXSQLSKYXDK-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.24
Rot. Bonds2

About 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid

2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid (PubChem CID 70436230) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid.

Molecular Properties

Compound Name2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid
PubChem CID70436230
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid
SMILESCC(N=C(N)N)c1ccccn1.O=S(=O)(O)O
InChIInChI=1S/C8H12N4.H2O4S/c1-6(12-8(9)10)7-4-2-3-5-11-7;1-5(2,3)4/h2-6H,1H3,(H4,9,10,12);(H2,1,2,3,4)
InChIKeyKPROXSQLSKYXDK-UHFFFAOYSA-N
XLogP-0.24
TPSA151.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.24
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

dipyridin-2-ylmethanesulfonic acid
CID 11569476
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
2-[phenyl(pyridin-2-yl)methyl]guanidine
CID 54045340
2-(1-isocyanatoethyl)pyridine
CID 21454518
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
lithium 2-pyridin-2-ylpropanoate
CID 175058549
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide
CID 140565025
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 80597057
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid?
The IUPAC name of 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid (CID 70436230) is 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid.
What is the SMILES notation for 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid?
The canonical SMILES for 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid is CC(N=C(N)N)c1ccccn1.O=S(=O)(O)O.
What is the InChIKey of 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid?
The InChIKey is KPROXSQLSKYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.H2O4S/c1-6(12-8(9)10)7-4-2-3-5-11-7;1-5(2,3)4/h2-6H,1H3,(H4,9,10,12);(H2,1,2,3,4).
What are the key properties of 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid?
2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid has a molecular weight of 262.29 g/mol, XLogP of -0.24, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylethyl)guanidine;sulfuric acid is sourced from PubChem (CID 70436230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).