methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate

C9H11NO3 — CID 130853662

IUPACmethyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate
SMILESCOC(=O)Cc1[nH]c(=O)ccc1C
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(11)10-7(6)5-9(12)13-2/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyRGIFTOGROVNTNC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.40
Rot. Bonds2

About methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate

methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate (PubChem CID 130853662) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate
PubChem CID130853662
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate
SMILESCOC(=O)Cc1[nH]c(=O)ccc1C
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(11)10-7(6)5-9(12)13-2/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyRGIFTOGROVNTNC-UHFFFAOYSA-N
XLogP0.40
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-methyl-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134678346
methyl 2-[3-methyl-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134658759
methyl 2-[5-(4-methoxybenzoyl)-3-methyl-1H-pyrrol-2-yl]acetate
CID 67639316
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 2-(3-fluoro-4-methyl-2-nitrophenyl)acetate
CID 171030409
methyl 2-[5-methyl-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680985
6-methoxy-5-methyl-1H-pyridin-2-one
CID 70646264
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-(3-bromo-6-methyl-2-nitrophenyl)acetate
CID 134634977
methyl 2-(3-amino-6-methyl-2-nitrophenyl)acetate
CID 171030727

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate (CID 130853662) is methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate is COC(=O)Cc1[nH]c(=O)ccc1C.
What is the InChIKey of methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate?
The InChIKey is RGIFTOGROVNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-4-8(11)10-7(6)5-9(12)13-2/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate?
methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-6-oxo-1H-pyridin-2-yl)acetate is sourced from PubChem (CID 130853662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).