2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid

C11H13NO5 — CID 154461378

IUPAC2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid
SMILESCOc1c(C)cnc(COC(C)=O)c1C(=O)O
InChIInChI=1S/C11H13NO5/c1-6-4-12-8(5-17-7(2)13)9(11(14)15)10(6)16-3/h4H,5H2,1-3H3,(H,14,15)
InChIKeyVMGHOWYYJHBIAL-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.16
Rot. Bonds4

About 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid

2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid (PubChem CID 154461378) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid
PubChem CID154461378
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid
SMILESCOc1c(C)cnc(COC(C)=O)c1C(=O)O
InChIInChI=1S/C11H13NO5/c1-6-4-12-8(5-17-7(2)13)9(11(14)15)10(6)16-3/h4H,5H2,1-3H3,(H,14,15)
InChIKeyVMGHOWYYJHBIAL-UHFFFAOYSA-N
XLogP1.16
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 142637848
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]butanoic acid
CID 105352765
1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one
CID 116551277
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968264
3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 116594134
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
CID 66024192
(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 10584009
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-3-methylbutanoic acid
CID 105353626
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499

Frequently Asked Questions

What is the IUPAC name of 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid (CID 154461378) is 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid is COc1c(C)cnc(COC(C)=O)c1C(=O)O.
What is the InChIKey of 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid?
The InChIKey is VMGHOWYYJHBIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-6-4-12-8(5-17-7(2)13)9(11(14)15)10(6)16-3/h4H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid?
2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetyloxymethyl)-4-methoxy-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 154461378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).