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

C9H11NO2 — CID 72942693

IUPACmethyl 2-(4-methyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(C)ccn1
InChIInChI=1S/C9H11NO2/c1-7-3-4-10-8(5-7)6-9(11)12-2/h3-5H,6H2,1-2H3
InChIKeyWMOJKAPIFKCDQZ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.11
Rot. Bonds2

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

methyl 2-(4-methyl-2-pyridinyl)acetate (PubChem CID 72942693) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2-(4-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-2-pyridinyl)acetate
PubChem CID72942693
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2-(4-methyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(C)ccn1
InChIInChI=1S/C9H11NO2/c1-7-3-4-10-8(5-7)6-9(11)12-2/h3-5H,6H2,1-2H3
InChIKeyWMOJKAPIFKCDQZ-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(4-methyl-2-pyridinyl)acetate (CID 72942693) is methyl 2-(4-methyl-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(4-methyl-2-pyridinyl)acetate is COC(=O)Cc1cc(C)ccn1.
What is the InChIKey of methyl 2-(4-methyl-2-pyridinyl)acetate?
The InChIKey is WMOJKAPIFKCDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-3-4-10-8(5-7)6-9(11)12-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-2-pyridinyl)acetate?
methyl 2-(4-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-(4-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 72942693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).