4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride

C10H12ClN3O3 — CID 75493352

IUPAC4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C1CN(c2ccnc(C(=O)O)c2)CCN1
InChIInChI=1S/C10H11N3O3.ClH/c14-9-6-13(4-3-12-9)7-1-2-11-8(5-7)10(15)16;/h1-2,5H,3-4,6H2,(H,12,14)(H,15,16);1H
InChIKeyFFRPWJOISCOURO-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.14
Rot. Bonds2

About 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride

4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride (PubChem CID 75493352) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
PubChem CID75493352
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C1CN(c2ccnc(C(=O)O)c2)CCN1
InChIInChI=1S/C10H11N3O3.ClH/c14-9-6-13(4-3-12-9)7-1-2-11-8(5-7)10(15)16;/h1-2,5H,3-4,6H2,(H,12,14)(H,15,16);1H
InChIKeyFFRPWJOISCOURO-UHFFFAOYSA-N
XLogP0.14
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride (CID 75493352) is 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride is Cl.O=C1CN(c2ccnc(C(=O)O)c2)CCN1.
What is the InChIKey of 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is FFRPWJOISCOURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3.ClH/c14-9-6-13(4-3-12-9)7-1-2-11-8(5-7)10(15)16;/h1-2,5H,3-4,6H2,(H,12,14)(H,15,16);1H.
What are the key properties of 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 257.68 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 75493352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).