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

C12H15NO3 — CID 174212115

IUPACethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cccnc1OC1CC1
InChIInChI=1S/C12H15NO3/c1-2-15-11(14)8-9-4-3-7-13-12(9)16-10-5-6-10/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyVJGLWCDYVLORHU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.73
Rot. Bonds5

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

ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate (PubChem CID 174212115) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
PubChem CID174212115
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cccnc1OC1CC1
InChIInChI=1S/C12H15NO3/c1-2-15-11(14)8-9-4-3-7-13-12(9)16-10-5-6-10/h3-4,7,10H,2,5-6,8H2,1H3
InChIKeyVJGLWCDYVLORHU-UHFFFAOYSA-N
XLogP1.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-methyl-1-[2-(4-methylcyclohexyl)oxy-3-pyridinyl]methanamine
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ethyl 2-(azetidin-3-yloxy)pyridine-3-carboxylate
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ethyl 2-(2-ethylphenyl)acetate
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ethyl 2-(3-cyclopropyloxyphenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate (CID 174212115) is ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate is CCOC(=O)Cc1cccnc1OC1CC1.
What is the InChIKey of ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate?
The InChIKey is VJGLWCDYVLORHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-15-11(14)8-9-4-3-7-13-12(9)16-10-5-6-10/h3-4,7,10H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate?
ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate has a molecular weight of 221.26 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate is sourced from PubChem (CID 174212115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).