methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate

C9H11NO3 — CID 19019426

IUPACmethyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1c(C)cccc1=O
InChIInChI=1S/C9H11NO3/c1-7-4-3-5-8(11)10(7)6-9(12)13-2/h3-5H,6H2,1-2H3
InChIKeyFVFPVNMASVHPDV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.33
Rot. Bonds2

About methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate

methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate (PubChem CID 19019426) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate
PubChem CID19019426
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1c(C)cccc1=O
InChIInChI=1S/C9H11NO3/c1-7-4-3-5-8(11)10(7)6-9(12)13-2/h3-5H,6H2,1-2H3
InChIKeyFVFPVNMASVHPDV-UHFFFAOYSA-N
XLogP0.33
TPSA48.30 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 ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate (CID 19019426) is methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate is COC(=O)Cn1c(C)cccc1=O.
What is the InChIKey of methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate?
The InChIKey is FVFPVNMASVHPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7-4-3-5-8(11)10(7)6-9(12)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate?
methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-6-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 19019426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).