ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate

C12H15NO3 — CID 102503713

IUPACethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1C1(C)CCO1
InChIInChI=1S/C12H15NO3/c1-3-15-11(14)9-4-6-13-8-10(9)12(2)5-7-16-12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyLLHICVIVKLUWTB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.89
Rot. Bonds3

About ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate

ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate (PubChem CID 102503713) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate
PubChem CID102503713
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccncc1C1(C)CCO1
InChIInChI=1S/C12H15NO3/c1-3-15-11(14)9-4-6-13-8-10(9)12(2)5-7-16-12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyLLHICVIVKLUWTB-UHFFFAOYSA-N
XLogP1.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate (CID 102503713) is ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate is CCOC(=O)c1ccncc1C1(C)CCO1.
What is the InChIKey of ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate?
The InChIKey is LLHICVIVKLUWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-15-11(14)9-4-6-13-8-10(9)12(2)5-7-16-12/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate?
ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate is sourced from PubChem (CID 102503713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).