ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate

C12H15NO3 — CID 157252746

IUPACethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1CC1COC1
InChIInChI=1S/C12H15NO3/c1-2-16-12(14)11-10(4-3-5-13-11)6-9-7-15-8-9/h3-5,9H,2,6-8H2,1H3
InChIKeyTWAFUPGLHPCRDZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.45
Rot. Bonds4

About ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate

ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate (PubChem CID 157252746) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate
PubChem CID157252746
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncccc1CC1COC1
InChIInChI=1S/C12H15NO3/c1-2-16-12(14)11-10(4-3-5-13-11)6-9-7-15-8-9/h3-5,9H,2,6-8H2,1H3
InChIKeyTWAFUPGLHPCRDZ-UHFFFAOYSA-N
XLogP1.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 3-(cyclopropylmethoxy)pyridine-2-carboxylate
CID 133080995
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-2-carboxylate
CID 69459643
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
ethyl 3-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168687501
ethyl 3-(2,3-dimethoxyphenyl)pyridine-2-carboxylate
CID 15681324
ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
CID 174212115
ethyl 3-pyrazol-1-ylpyridine-2-carboxylate
CID 141444753
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66241100
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate (CID 157252746) is ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate is CCOC(=O)c1ncccc1CC1COC1.
What is the InChIKey of ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate?
The InChIKey is TWAFUPGLHPCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(14)11-10(4-3-5-13-11)6-9-7-15-8-9/h3-5,9H,2,6-8H2,1H3.
What are the key properties of ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate?
ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxetan-3-ylmethyl)pyridine-2-carboxylate is sourced from PubChem (CID 157252746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).