2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride

C13H15ClN4 — CID 118730501

IUPAC2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride
SMILESCc1ccc(/N=C(\N)Nc2ccccc2)nc1.Cl
InChIInChI=1S/C13H14N4.ClH/c1-10-7-8-12(15-9-10)17-13(14)16-11-5-3-2-4-6-11;/h2-9H,1H3,(H3,14,15,16,17);1H
InChIKeyQHGRSRAXTPHUQD-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.87
Rot. Bonds2

About 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride

2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride (PubChem CID 118730501) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride
PubChem CID118730501
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride
SMILESCc1ccc(/N=C(\N)Nc2ccccc2)nc1.Cl
InChIInChI=1S/C13H14N4.ClH/c1-10-7-8-12(15-9-10)17-13(14)16-11-5-3-2-4-6-11;/h2-9H,1H3,(H3,14,15,16,17);1H
InChIKeyQHGRSRAXTPHUQD-UHFFFAOYSA-N
XLogP2.87
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.87
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-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride (CID 118730501) is 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride is Cc1ccc(/N=C(\N)Nc2ccccc2)nc1.Cl.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride?
The InChIKey is QHGRSRAXTPHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4.ClH/c1-10-7-8-12(15-9-10)17-13(14)16-11-5-3-2-4-6-11;/h2-9H,1H3,(H3,14,15,16,17);1H.
What are the key properties of 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride?
2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride is sourced from PubChem (CID 118730501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).