6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride

C11H16ClN3O2 — CID 57444906

IUPAC6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
SMILESCN1CCN(c2cccc(C(=O)O)n2)CC1.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16;/h2-4H,5-8H2,1H3,(H,15,16);1H
InChIKeySZNVEZUMIATHJG-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.95
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride

6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride (PubChem CID 57444906) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
PubChem CID57444906
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
SMILESCN1CCN(c2cccc(C(=O)O)n2)CC1.Cl
InChIInChI=1S/C11H15N3O2.ClH/c1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16;/h2-4H,5-8H2,1H3,(H,15,16);1H
InChIKeySZNVEZUMIATHJG-UHFFFAOYSA-N
XLogP0.95
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride (CID 57444906) is 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride is CN1CCN(c2cccc(C(=O)O)n2)CC1.Cl.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is SZNVEZUMIATHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.ClH/c1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16;/h2-4H,5-8H2,1H3,(H,15,16);1H.
What are the key properties of 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 57444906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).