2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride

C9H15ClN4O — CID 118730507

IUPAC2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride
SMILESCc1ccc(N/C(N)=N/CCO)nc1.Cl
InChIInChI=1S/C9H14N4O.ClH/c1-7-2-3-8(12-6-7)13-9(10)11-4-5-14;/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12,13);1H
InChIKeyRJDSPMXKAZOLGL-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.53
Rot. Bonds3

About 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride

2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride (PubChem CID 118730507) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride
PubChem CID118730507
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride
SMILESCc1ccc(N/C(N)=N/CCO)nc1.Cl
InChIInChI=1S/C9H14N4O.ClH/c1-7-2-3-8(12-6-7)13-9(10)11-4-5-14;/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12,13);1H
InChIKeyRJDSPMXKAZOLGL-UHFFFAOYSA-N
XLogP0.53
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride?
The IUPAC name of 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride (CID 118730507) is 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride?
The canonical SMILES for 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride is Cc1ccc(N/C(N)=N/CCO)nc1.Cl.
What is the InChIKey of 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride?
The InChIKey is RJDSPMXKAZOLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.ClH/c1-7-2-3-8(12-6-7)13-9(10)11-4-5-14;/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12,13);1H.
What are the key properties of 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride?
2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride is sourced from PubChem (CID 118730507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).