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

C9H11NO2 — CID 59570556

IUPACmethyl 2-(3-methyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ncccc1C
InChIInChI=1S/C9H11NO2/c1-7-4-3-5-10-8(7)6-9(11)12-2/h3-5H,6H2,1-2H3
InChIKeyBQATURCQEVJCQZ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.11
Rot. Bonds2

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

methyl 2-(3-methyl-2-pyridinyl)acetate (PubChem CID 59570556) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2-(3-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-2-pyridinyl)acetate
PubChem CID59570556
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2-(3-methyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1ncccc1C
InChIInChI=1S/C9H11NO2/c1-7-4-3-5-10-8(7)6-9(11)12-2/h3-5H,6H2,1-2H3
InChIKeyBQATURCQEVJCQZ-UHFFFAOYSA-N
XLogP1.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-methyl-2-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

methyl 2-(5-methylisoquinolin-1-yl)acetate
CID 82575040
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
methyl 2-[[2-(3-methyl-2-pyridinyl)acetyl]-propan-2-ylamino]acetate
CID 107148632
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
methyl 2-[cyclopentyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]acetate
CID 107148643
5-methoxy-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-5-oxopentanoic acid
CID 107147311
N-[2-(2-methoxyethylamino)ethyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148548
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
1-(3-methyl-2-pyridinyl)decan-2-one
CID 66447638
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
CID 107148609
methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
CID 106487890

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-methyl-2-pyridinyl)acetate (CID 59570556) is methyl 2-(3-methyl-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-methyl-2-pyridinyl)acetate is COC(=O)Cc1ncccc1C.
What is the InChIKey of methyl 2-(3-methyl-2-pyridinyl)acetate?
The InChIKey is BQATURCQEVJCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-4-3-5-10-8(7)6-9(11)12-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(3-methyl-2-pyridinyl)acetate?
methyl 2-(3-methyl-2-pyridinyl)acetate has a molecular weight of 165.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 59570556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).