methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate

C10H11NO5 — CID 18619218

IUPACmethyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1ccc(OC(C)=O)cn1
InChIInChI=1S/C10H11NO5/c1-7(12)16-8-3-4-9(11-5-8)15-6-10(13)14-2/h3-5H,6H2,1-2H3
InChIKeyXNSUWYPNWMENBJ-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.56
Rot. Bonds4

About methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate

methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate (PubChem CID 18619218) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate
PubChem CID18619218
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Namemethyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate
SMILESCOC(=O)COc1ccc(OC(C)=O)cn1
InChIInChI=1S/C10H11NO5/c1-7(12)16-8-3-4-9(11-5-8)15-6-10(13)14-2/h3-5H,6H2,1-2H3
InChIKeyXNSUWYPNWMENBJ-UHFFFAOYSA-N
XLogP0.56
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(5-bromo-2-pyridinyl)oxy]acetate
CID 67448774
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
methyl 2-pyridin-2-yloxyacetate
CID 45091085
methyl 2-[[5-(2-hydroxyiminoethyl)-2-pyridinyl]oxy]acetate
CID 88921357
methyl 2-[[5-[(4-benzoylbenzoyl)amino]-2-pyridinyl]oxy]acetate
CID 15980958
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-(4-fluorophenoxy)acetate
CID 580550
(6-ethenyl-3-pyridinyl) acetate
CID 74788312
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate?
The IUPAC name of methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate (CID 18619218) is methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate.
What is the SMILES notation for methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate?
The canonical SMILES for methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate is COC(=O)COc1ccc(OC(C)=O)cn1.
What is the InChIKey of methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate?
The InChIKey is XNSUWYPNWMENBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-7(12)16-8-3-4-9(11-5-8)15-6-10(13)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate?
methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate has a molecular weight of 225.20 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-acetyloxy-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 18619218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).