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

C10H13NO2 — CID 13400649

IUPACethyl 2-(3-methyl-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1C
InChIInChI=1S/C10H13NO2/c1-3-13-10(12)7-9-8(2)5-4-6-11-9/h4-6H,3,7H2,1-2H3
InChIKeyXNYIYVMPRJBSMY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.50
Rot. Bonds3

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

ethyl 2-(3-methyl-2-pyridinyl)acetate (PubChem CID 13400649) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2-pyridinyl)acetate
PubChem CID13400649
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameethyl 2-(3-methyl-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1ncccc1C
InChIInChI=1S/C10H13NO2/c1-3-13-10(12)7-9-8(2)5-4-6-11-9/h4-6H,3,7H2,1-2H3
InChIKeyXNYIYVMPRJBSMY-UHFFFAOYSA-N
XLogP1.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-methyl-2-pyridinyl)acetate (CID 13400649) is ethyl 2-(3-methyl-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-2-pyridinyl)acetate is CCOC(=O)Cc1ncccc1C.
What is the InChIKey of ethyl 2-(3-methyl-2-pyridinyl)acetate?
The InChIKey is XNYIYVMPRJBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-13-10(12)7-9-8(2)5-4-6-11-9/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-2-pyridinyl)acetate?
ethyl 2-(3-methyl-2-pyridinyl)acetate has a molecular weight of 179.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 13400649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).