methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate

C8H9ClN2O3 — CID 12056741

IUPACmethyl 2-(2-chloropyrimidin-4-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1ccnc(Cl)n1
InChIInChI=1S/C8H9ClN2O3/c1-5(7(12)13-2)14-6-3-4-10-8(9)11-6/h3-5H,1-2H3
InChIKeySOWMVDHZCXJHEV-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.07
Rot. Bonds3

About methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate

methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate (PubChem CID 12056741) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(2-chloropyrimidin-4-yl)oxypropanoate
PubChem CID12056741
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Namemethyl 2-(2-chloropyrimidin-4-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1ccnc(Cl)n1
InChIInChI=1S/C8H9ClN2O3/c1-5(7(12)13-2)14-6-3-4-10-8(9)11-6/h3-5H,1-2H3
InChIKeySOWMVDHZCXJHEV-UHFFFAOYSA-N
XLogP1.07
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate?
The IUPAC name of methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate (CID 12056741) is methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate?
The canonical SMILES for methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate is COC(=O)C(C)Oc1ccnc(Cl)n1.
What is the InChIKey of methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate?
The InChIKey is SOWMVDHZCXJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-5(7(12)13-2)14-6-3-4-10-8(9)11-6/h3-5H,1-2H3.
What are the key properties of methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate?
methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate has a molecular weight of 216.62 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloropyrimidin-4-yl)oxypropanoate is sourced from PubChem (CID 12056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).