ethyl 2-(6-chloropyrazin-2-yl)acetate

C8H9ClN2O2 — CID 52987963

IUPACethyl 2-(6-chloropyrazin-2-yl)acetate
SMILESCCOC(=O)Cc1cncc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-2-13-8(12)3-6-4-10-5-7(9)11-6/h4-5H,2-3H2,1H3
InChIKeyMXVFGAGOQNLOCD-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.24
Rot. Bonds3

About ethyl 2-(6-chloropyrazin-2-yl)acetate

ethyl 2-(6-chloropyrazin-2-yl)acetate (PubChem CID 52987963) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is ethyl 2-(6-chloropyrazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloropyrazin-2-yl)acetate
PubChem CID52987963
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Nameethyl 2-(6-chloropyrazin-2-yl)acetate
SMILESCCOC(=O)Cc1cncc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-2-13-8(12)3-6-4-10-5-7(9)11-6/h4-5H,2-3H2,1H3
InChIKeyMXVFGAGOQNLOCD-UHFFFAOYSA-N
XLogP1.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-(6-chloro-2-pyridinyl)-2-pyridinyl]acetate
CID 89419539
ethyl 2-(5-methylimidazo[1,2-a]pyrazin-2-yl)acetate
CID 10513068
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
CID 133098224
CID 164570671
CID 164570671
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
CID 26604
ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
CID 13060218
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
ethyl 2-(6-chloro-4-cyano-3-pyridinyl)acetate
CID 133097864
ethyl 2-[4-chloro-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134663801
(6-chloropyrazin-2-yl)methylcarbamic acid
CID 138687709
ethyl 2-(5-bromo-6-fluoro-2-pyridinyl)acetate
CID 133098162

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloropyrazin-2-yl)acetate?
The IUPAC name of ethyl 2-(6-chloropyrazin-2-yl)acetate (CID 52987963) is ethyl 2-(6-chloropyrazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-chloropyrazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-chloropyrazin-2-yl)acetate is CCOC(=O)Cc1cncc(Cl)n1.
What is the InChIKey of ethyl 2-(6-chloropyrazin-2-yl)acetate?
The InChIKey is MXVFGAGOQNLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-2-13-8(12)3-6-4-10-5-7(9)11-6/h4-5H,2-3H2,1H3.
What are the key properties of ethyl 2-(6-chloropyrazin-2-yl)acetate?
ethyl 2-(6-chloropyrazin-2-yl)acetate has a molecular weight of 200.62 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloropyrazin-2-yl)acetate is sourced from PubChem (CID 52987963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).