(5-chloropyrazin-2-yl)methyl propanoate

C8H9ClN2O2 — CID 23462032

IUPAC(5-chloropyrazin-2-yl)methyl propanoate
SMILESCCC(=O)OCc1cnc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h3-4H,2,5H2,1H3
InChIKeyJNCADEKTNNLHCY-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.58
Rot. Bonds3

About (5-chloropyrazin-2-yl)methyl propanoate

(5-chloropyrazin-2-yl)methyl propanoate (PubChem CID 23462032) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)methyl propanoate.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)methyl propanoate
PubChem CID23462032
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name(5-chloropyrazin-2-yl)methyl propanoate
SMILESCCC(=O)OCc1cnc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h3-4H,2,5H2,1H3
InChIKeyJNCADEKTNNLHCY-UHFFFAOYSA-N
XLogP1.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloropyrazin-2-yl)methyl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)methyl propanoate?
The IUPAC name of (5-chloropyrazin-2-yl)methyl propanoate (CID 23462032) is (5-chloropyrazin-2-yl)methyl propanoate.
What is the SMILES notation for (5-chloropyrazin-2-yl)methyl propanoate?
The canonical SMILES for (5-chloropyrazin-2-yl)methyl propanoate is CCC(=O)OCc1cnc(Cl)cn1.
What is the InChIKey of (5-chloropyrazin-2-yl)methyl propanoate?
The InChIKey is JNCADEKTNNLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h3-4H,2,5H2,1H3.
What are the key properties of (5-chloropyrazin-2-yl)methyl propanoate?
(5-chloropyrazin-2-yl)methyl propanoate has a molecular weight of 200.63 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)methyl propanoate is sourced from PubChem (CID 23462032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).