ethyl 6-ethoxypyridine-2-carboxylate

C10H13NO3 — CID 53393170

IUPACethyl 6-ethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(OCC)n1
InChIInChI=1S/C10H13NO3/c1-3-13-9-7-5-6-8(11-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3
InChIKeyLEKWWVNHYUXVAW-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.66
Rot. Bonds4

About ethyl 6-ethoxypyridine-2-carboxylate

ethyl 6-ethoxypyridine-2-carboxylate (PubChem CID 53393170) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 6-ethoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxypyridine-2-carboxylate
PubChem CID53393170
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 6-ethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(OCC)n1
InChIInChI=1S/C10H13NO3/c1-3-13-9-7-5-6-8(11-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3
InChIKeyLEKWWVNHYUXVAW-UHFFFAOYSA-N
XLogP1.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxypyridine-2-carboxylate?
The IUPAC name of ethyl 6-ethoxypyridine-2-carboxylate (CID 53393170) is ethyl 6-ethoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-ethoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 6-ethoxypyridine-2-carboxylate is CCOC(=O)c1cccc(OCC)n1.
What is the InChIKey of ethyl 6-ethoxypyridine-2-carboxylate?
The InChIKey is LEKWWVNHYUXVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-13-9-7-5-6-8(11-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethoxypyridine-2-carboxylate?
ethyl 6-ethoxypyridine-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxypyridine-2-carboxylate is sourced from PubChem (CID 53393170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).