ethane;ethyl 5-ethylpyridine-3-carboxylate

C12H19NO2 — CID 143600657

IUPACethane;ethyl 5-ethylpyridine-3-carboxylate
SMILESCC.CCOC(=O)c1cncc(CC)c1
InChIInChI=1S/C10H13NO2.C2H6/c1-3-8-5-9(7-11-6-8)10(12)13-4-2;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyOQGHQTYTEZCJGB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.85
Rot. Bonds3

About ethane;ethyl 5-ethylpyridine-3-carboxylate

ethane;ethyl 5-ethylpyridine-3-carboxylate (PubChem CID 143600657) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;ethyl 5-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-ethylpyridine-3-carboxylate
PubChem CID143600657
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethane;ethyl 5-ethylpyridine-3-carboxylate
SMILESCC.CCOC(=O)c1cncc(CC)c1
InChIInChI=1S/C10H13NO2.C2H6/c1-3-8-5-9(7-11-6-8)10(12)13-4-2;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyOQGHQTYTEZCJGB-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
CID 70071930
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
ethane;ethyl 5-cyanopyridine-3-carboxylate
CID 145385789
2-amino-1-(5-ethyl-3-pyridinyl)ethanone
CID 84651885
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
ethyl 5-[[4-(3-methylbutyl)phenyl]methyl]pyridine-3-carboxylate
CID 123673356
ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]pyridine-3-carboxylate
CID 59384245
ethyl 5-(2-methylbutan-2-yl)pyridine-3-carboxylate
CID 178133501
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159
ethyl 5-(3-bromoprop-1-enyl)pyridine-3-carboxylate
CID 169476080
ethyl 5-[2-(diethoxyphosphorylmethoxy)ethoxymethyl]pyridine-3-carboxylate
CID 100926868

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-ethylpyridine-3-carboxylate?
The IUPAC name of ethane;ethyl 5-ethylpyridine-3-carboxylate (CID 143600657) is ethane;ethyl 5-ethylpyridine-3-carboxylate.
What is the SMILES notation for ethane;ethyl 5-ethylpyridine-3-carboxylate?
The canonical SMILES for ethane;ethyl 5-ethylpyridine-3-carboxylate is CC.CCOC(=O)c1cncc(CC)c1.
What is the InChIKey of ethane;ethyl 5-ethylpyridine-3-carboxylate?
The InChIKey is OQGHQTYTEZCJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6/c1-3-8-5-9(7-11-6-8)10(12)13-4-2;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 5-ethylpyridine-3-carboxylate?
ethane;ethyl 5-ethylpyridine-3-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-ethylpyridine-3-carboxylate is sourced from PubChem (CID 143600657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).