methyl 6-(acetyloxymethyl)pyridine-3-carboxylate

C10H11NO4 — CID 10353032

IUPACmethyl 6-(acetyloxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COC(C)=O)nc1
InChIInChI=1S/C10H11NO4/c1-7(12)15-6-9-4-3-8(5-11-9)10(13)14-2/h3-5H,6H2,1-2H3
InChIKeyWUWLMSMOILJHBX-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.93
Rot. Bonds3

About methyl 6-(acetyloxymethyl)pyridine-3-carboxylate

methyl 6-(acetyloxymethyl)pyridine-3-carboxylate (PubChem CID 10353032) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 6-(acetyloxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(acetyloxymethyl)pyridine-3-carboxylate
PubChem CID10353032
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 6-(acetyloxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COC(C)=O)nc1
InChIInChI=1S/C10H11NO4/c1-7(12)15-6-9-4-3-8(5-11-9)10(13)14-2/h3-5H,6H2,1-2H3
InChIKeyWUWLMSMOILJHBX-UHFFFAOYSA-N
XLogP0.93
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(3-aminopropyl)pyridine-3-carboxylate
CID 57039015
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate
CID 67866156
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
CID 162377279
acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
CID 104831209
methyl 6-[(3-amino-5-bromophenoxy)methyl]pyridine-3-carboxylate
CID 103588331

Frequently Asked Questions

What is the IUPAC name of methyl 6-(acetyloxymethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(acetyloxymethyl)pyridine-3-carboxylate (CID 10353032) is methyl 6-(acetyloxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(acetyloxymethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(acetyloxymethyl)pyridine-3-carboxylate is COC(=O)c1ccc(COC(C)=O)nc1.
What is the InChIKey of methyl 6-(acetyloxymethyl)pyridine-3-carboxylate?
The InChIKey is WUWLMSMOILJHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-7(12)15-6-9-4-3-8(5-11-9)10(13)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 6-(acetyloxymethyl)pyridine-3-carboxylate?
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(acetyloxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10353032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).