[5-(methoxymethyl)-3-pyridinyl]methyl acetate

C10H13NO3 — CID 54247300

IUPAC[5-(methoxymethyl)-3-pyridinyl]methyl acetate
SMILESCOCc1cncc(COC(C)=O)c1
InChIInChI=1S/C10H13NO3/c1-8(12)14-7-10-3-9(6-13-2)4-11-5-10/h3-5H,6-7H2,1-2H3
InChIKeyQUECZKOKPDLPKF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.29
Rot. Bonds4

About [5-(methoxymethyl)-3-pyridinyl]methyl acetate

[5-(methoxymethyl)-3-pyridinyl]methyl acetate (PubChem CID 54247300) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is [5-(methoxymethyl)-3-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-(methoxymethyl)-3-pyridinyl]methyl acetate
PubChem CID54247300
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name[5-(methoxymethyl)-3-pyridinyl]methyl acetate
SMILESCOCc1cncc(COC(C)=O)c1
InChIInChI=1S/C10H13NO3/c1-8(12)14-7-10-3-9(6-13-2)4-11-5-10/h3-5H,6-7H2,1-2H3
InChIKeyQUECZKOKPDLPKF-UHFFFAOYSA-N
XLogP1.29
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

quinolin-3-ylmethyl acetate
CID 101032812
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
(5-acetylfuran-3-yl)methyl acetate
CID 18367906
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
CID 89361495
N-[5-(methoxymethyl)pyridazin-3-yl]acetamide
CID 166765527
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
benzyl acetate
CID 8785
methyl (2S)-2-amino-3-(5-hydroxy-3-pyridinyl)propanoate
CID 55252997
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
(5-acetyl-3-pyridinyl)methyl formate
CID 174962046
[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methyl acetate
CID 141047905

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-3-pyridinyl]methyl acetate?
The IUPAC name of [5-(methoxymethyl)-3-pyridinyl]methyl acetate (CID 54247300) is [5-(methoxymethyl)-3-pyridinyl]methyl acetate.
What is the SMILES notation for [5-(methoxymethyl)-3-pyridinyl]methyl acetate?
The canonical SMILES for [5-(methoxymethyl)-3-pyridinyl]methyl acetate is COCc1cncc(COC(C)=O)c1.
What is the InChIKey of [5-(methoxymethyl)-3-pyridinyl]methyl acetate?
The InChIKey is QUECZKOKPDLPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(12)14-7-10-3-9(6-13-2)4-11-5-10/h3-5H,6-7H2,1-2H3.
What are the key properties of [5-(methoxymethyl)-3-pyridinyl]methyl acetate?
[5-(methoxymethyl)-3-pyridinyl]methyl acetate has a molecular weight of 195.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-3-pyridinyl]methyl acetate is sourced from PubChem (CID 54247300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).