1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride

C9H14Cl2N4 — CID 56837265

IUPAC1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)Nc1ccc(Cl)cn1.Cl
InChIInChI=1S/C9H13ClN4.ClH/c1-2-5-12-9(11)14-8-4-3-7(10)6-13-8;/h3-4,6H,2,5H2,1H3,(H3,11,12,13,14);1H
InChIKeyZSIQPYYXLFLHBG-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.29
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride

1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride (PubChem CID 56837265) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride
PubChem CID56837265
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)Nc1ccc(Cl)cn1.Cl
InChIInChI=1S/C9H13ClN4.ClH/c1-2-5-12-9(11)14-8-4-3-7(10)6-13-8;/h3-4,6H,2,5H2,1H3,(H3,11,12,13,14);1H
InChIKeyZSIQPYYXLFLHBG-UHFFFAOYSA-N
XLogP2.29
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.29
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 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride (CID 56837265) is 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride is CCC/N=C(\N)Nc1ccc(Cl)cn1.Cl.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride?
The InChIKey is ZSIQPYYXLFLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4.ClH/c1-2-5-12-9(11)14-8-4-3-7(10)6-13-8;/h3-4,6H,2,5H2,1H3,(H3,11,12,13,14);1H.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride?
1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-propylguanidine;hydrochloride is sourced from PubChem (CID 56837265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).