3-pyrazin-2-ylpropanoic acid;hydrochloride

C7H9ClN2O2 — CID 155971169

IUPAC3-pyrazin-2-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cnccn1
InChIInChI=1S/C7H8N2O2.ClH/c10-7(11)2-1-6-5-8-3-4-9-6;/h3-5H,1-2H2,(H,10,11);1H
InChIKeyBSPAOYXWMMAEJJ-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.92
Rot. Bonds3

About 3-pyrazin-2-ylpropanoic acid;hydrochloride

3-pyrazin-2-ylpropanoic acid;hydrochloride (PubChem CID 155971169) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 3-pyrazin-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-pyrazin-2-ylpropanoic acid;hydrochloride
PubChem CID155971169
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name3-pyrazin-2-ylpropanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cnccn1
InChIInChI=1S/C7H8N2O2.ClH/c10-7(11)2-1-6-5-8-3-4-9-6;/h3-5H,1-2H2,(H,10,11);1H
InChIKeyBSPAOYXWMMAEJJ-UHFFFAOYSA-N
XLogP0.92
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-ylpropanoic acid;hydrochloride?
The IUPAC name of 3-pyrazin-2-ylpropanoic acid;hydrochloride (CID 155971169) is 3-pyrazin-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-pyrazin-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for 3-pyrazin-2-ylpropanoic acid;hydrochloride is Cl.O=C(O)CCc1cnccn1.
What is the InChIKey of 3-pyrazin-2-ylpropanoic acid;hydrochloride?
The InChIKey is BSPAOYXWMMAEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c10-7(11)2-1-6-5-8-3-4-9-6;/h3-5H,1-2H2,(H,10,11);1H.
What are the key properties of 3-pyrazin-2-ylpropanoic acid;hydrochloride?
3-pyrazin-2-ylpropanoic acid;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 155971169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).