ethyl 2-(2-chloropyrimidin-5-yl)acetate

C8H9ClN2O2 — CID 57443497

IUPACethyl 2-(2-chloropyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(Cl)nc1
InChIInChI=1S/C8H9ClN2O2/c1-2-13-7(12)3-6-4-10-8(9)11-5-6/h4-5H,2-3H2,1H3
InChIKeyRTSBRQPXTQXJFJ-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.24
Rot. Bonds3

About ethyl 2-(2-chloropyrimidin-5-yl)acetate

ethyl 2-(2-chloropyrimidin-5-yl)acetate (PubChem CID 57443497) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is ethyl 2-(2-chloropyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloropyrimidin-5-yl)acetate
PubChem CID57443497
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Nameethyl 2-(2-chloropyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(Cl)nc1
InChIInChI=1S/C8H9ClN2O2/c1-2-13-7(12)3-6-4-10-8(9)11-5-6/h4-5H,2-3H2,1H3
InChIKeyRTSBRQPXTQXJFJ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloropyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2-chloropyrimidin-5-yl)acetate (CID 57443497) is ethyl 2-(2-chloropyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-chloropyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-chloropyrimidin-5-yl)acetate is CCOC(=O)Cc1cnc(Cl)nc1.
What is the InChIKey of ethyl 2-(2-chloropyrimidin-5-yl)acetate?
The InChIKey is RTSBRQPXTQXJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-2-13-7(12)3-6-4-10-8(9)11-5-6/h4-5H,2-3H2,1H3.
What are the key properties of ethyl 2-(2-chloropyrimidin-5-yl)acetate?
ethyl 2-(2-chloropyrimidin-5-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-(2-chloropyrimidin-5-yl)acetate is sourced from PubChem (CID 57443497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).