(2-acetyl-4-methoxy-3-pyridinyl) acetate

C10H11NO4 — CID 58914368

IUPAC(2-acetyl-4-methoxy-3-pyridinyl) acetate
SMILESCOc1ccnc(C(C)=O)c1OC(C)=O
InChIInChI=1S/C10H11NO4/c1-6(12)9-10(15-7(2)13)8(14-3)4-5-11-9/h4-5H,1-3H3
InChIKeyYNXIDANDGAJZJL-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.22
Rot. Bonds3

About (2-acetyl-4-methoxy-3-pyridinyl) acetate

(2-acetyl-4-methoxy-3-pyridinyl) acetate (PubChem CID 58914368) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2-acetyl-4-methoxy-3-pyridinyl) acetate.

Molecular Properties

Compound Name(2-acetyl-4-methoxy-3-pyridinyl) acetate
PubChem CID58914368
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2-acetyl-4-methoxy-3-pyridinyl) acetate
SMILESCOc1ccnc(C(C)=O)c1OC(C)=O
InChIInChI=1S/C10H11NO4/c1-6(12)9-10(15-7(2)13)8(14-3)4-5-11-9/h4-5H,1-3H3
InChIKeyYNXIDANDGAJZJL-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-acetyl-4-methoxy-3-pyridinyl) acetate 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

(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)-(3-phenylbutan-2-yl)amino]propanoic acid
CID 139466109
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
[(2S)-1-propoxypropan-2-yl] (2R)-4-(3-acetyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 147944029
[(2R,3R)-3-cyclopentylbutan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 139472797
[2-[[(2S)-1-[1,1-bis(4-methoxyphenyl)prop-1-en-2-ylamino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 162758980
[(1R,2S)-1-methoxy-1-phenylpropan-2-yl] (2R)-4-(3-acetyloxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 147923201
(2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)-[(3S)-3-(2-methylphenyl)butan-2-yl]amino]propanoic acid
CID 175784534
[2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]-3-methoxy-3-oxopropyl] 3-(2-methylpropanoyloxy)butanoate
CID 18681702
[(2S)-1,1-bis(4-chlorophenyl)propan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbothioyl)amino]propanoate
CID 134294284

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-4-methoxy-3-pyridinyl) acetate?
The IUPAC name of (2-acetyl-4-methoxy-3-pyridinyl) acetate (CID 58914368) is (2-acetyl-4-methoxy-3-pyridinyl) acetate.
What is the SMILES notation for (2-acetyl-4-methoxy-3-pyridinyl) acetate?
The canonical SMILES for (2-acetyl-4-methoxy-3-pyridinyl) acetate is COc1ccnc(C(C)=O)c1OC(C)=O.
What is the InChIKey of (2-acetyl-4-methoxy-3-pyridinyl) acetate?
The InChIKey is YNXIDANDGAJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(12)9-10(15-7(2)13)8(14-3)4-5-11-9/h4-5H,1-3H3.
What are the key properties of (2-acetyl-4-methoxy-3-pyridinyl) acetate?
(2-acetyl-4-methoxy-3-pyridinyl) acetate has a molecular weight of 209.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-4-methoxy-3-pyridinyl) acetate is sourced from PubChem (CID 58914368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).