methyl 2-(3-chloropyrazin-2-yl)propanoate

C8H9ClN2O2 — CID 119094417

IUPACmethyl 2-(3-chloropyrazin-2-yl)propanoate
SMILESCOC(=O)C(C)c1nccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-5(8(12)13-2)6-7(9)11-4-3-10-6/h3-5H,1-2H3
InChIKeyQJOSSGPBUHAWLY-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.41
Rot. Bonds2

About methyl 2-(3-chloropyrazin-2-yl)propanoate

methyl 2-(3-chloropyrazin-2-yl)propanoate (PubChem CID 119094417) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 2-(3-chloropyrazin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-chloropyrazin-2-yl)propanoate
PubChem CID119094417
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namemethyl 2-(3-chloropyrazin-2-yl)propanoate
SMILESCOC(=O)C(C)c1nccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-5(8(12)13-2)6-7(9)11-4-3-10-6/h3-5H,1-2H3
InChIKeyQJOSSGPBUHAWLY-UHFFFAOYSA-N
XLogP1.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloropyrazin-2-yl)propanoate?
The IUPAC name of methyl 2-(3-chloropyrazin-2-yl)propanoate (CID 119094417) is methyl 2-(3-chloropyrazin-2-yl)propanoate.
What is the SMILES notation for methyl 2-(3-chloropyrazin-2-yl)propanoate?
The canonical SMILES for methyl 2-(3-chloropyrazin-2-yl)propanoate is COC(=O)C(C)c1nccnc1Cl.
What is the InChIKey of methyl 2-(3-chloropyrazin-2-yl)propanoate?
The InChIKey is QJOSSGPBUHAWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5(8(12)13-2)6-7(9)11-4-3-10-6/h3-5H,1-2H3.
What are the key properties of methyl 2-(3-chloropyrazin-2-yl)propanoate?
methyl 2-(3-chloropyrazin-2-yl)propanoate has a molecular weight of 200.62 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloropyrazin-2-yl)propanoate is sourced from PubChem (CID 119094417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).