methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate

C13H11ClN2O4 — CID 850265

IUPACmethyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccccc1Oc1nc(Cl)cc(OC)n1
InChIInChI=1S/C13H11ClN2O4/c1-18-11-7-10(14)15-13(16-11)20-9-6-4-3-5-8(9)12(17)19-2/h3-7H,1-2H3
InChIKeyNYSCVZLUUXMDGL-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.72
Rot. Bonds4

About methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate

methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate (PubChem CID 850265) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate
PubChem CID850265
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Namemethyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccccc1Oc1nc(Cl)cc(OC)n1
InChIInChI=1S/C13H11ClN2O4/c1-18-11-7-10(14)15-13(16-11)20-9-6-4-3-5-8(9)12(17)19-2/h3-7H,1-2H3
InChIKeyNYSCVZLUUXMDGL-UHFFFAOYSA-N
XLogP2.72
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate?
The IUPAC name of methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate (CID 850265) is methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate?
The canonical SMILES for methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate is COC(=O)c1ccccc1Oc1nc(Cl)cc(OC)n1.
What is the InChIKey of methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate?
The InChIKey is NYSCVZLUUXMDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-18-11-7-10(14)15-13(16-11)20-9-6-4-3-5-8(9)12(17)19-2/h3-7H,1-2H3.
What are the key properties of methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate?
methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate has a molecular weight of 294.69 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-6-methoxypyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 850265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).