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

C9H11NO3 — CID 139337452

IUPAC(4-methoxy-2-methyl-3-pyridinyl) acetate
SMILESCOc1ccnc(C)c1OC(C)=O
InChIInChI=1S/C9H11NO3/c1-6-9(13-7(2)11)8(12-3)4-5-10-6/h4-5H,1-3H3
InChIKeyPWWQNUGLVYDHAX-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.32
Rot. Bonds2

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

(4-methoxy-2-methyl-3-pyridinyl) acetate (PubChem CID 139337452) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (4-methoxy-2-methyl-3-pyridinyl) acetate.

Molecular Properties

Compound Name(4-methoxy-2-methyl-3-pyridinyl) acetate
PubChem CID139337452
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(4-methoxy-2-methyl-3-pyridinyl) acetate
SMILESCOc1ccnc(C)c1OC(C)=O
InChIInChI=1S/C9H11NO3/c1-6-9(13-7(2)11)8(12-3)4-5-10-6/h4-5H,1-3H3
InChIKeyPWWQNUGLVYDHAX-UHFFFAOYSA-N
XLogP1.32
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-2-methyl-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) 2-methylpropanoate
CID 146481396
(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344
formic acid;4-methoxy-2-methylpyridin-3-ol
CID 156727769
(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 10584009
(3-bromo-2-formyl-6-methoxyphenyl) acetate
CID 10192904
6,7-dimethoxy-1-methylisoquinoline
CID 20725
(2,3-dimethoxy-7-oxocyclohepta-1,3,5-trien-1-yl) acetate
CID 135037831

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-3-pyridinyl) acetate?
The IUPAC name of (4-methoxy-2-methyl-3-pyridinyl) acetate (CID 139337452) is (4-methoxy-2-methyl-3-pyridinyl) acetate.
What is the SMILES notation for (4-methoxy-2-methyl-3-pyridinyl) acetate?
The canonical SMILES for (4-methoxy-2-methyl-3-pyridinyl) acetate is COc1ccnc(C)c1OC(C)=O.
What is the InChIKey of (4-methoxy-2-methyl-3-pyridinyl) acetate?
The InChIKey is PWWQNUGLVYDHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-9(13-7(2)11)8(12-3)4-5-10-6/h4-5H,1-3H3.
What are the key properties of (4-methoxy-2-methyl-3-pyridinyl) acetate?
(4-methoxy-2-methyl-3-pyridinyl) acetate has a molecular weight of 181.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-3-pyridinyl) acetate is sourced from PubChem (CID 139337452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).