ethyl 6-pyridin-3-yloxypyridine-3-carboxylate

C13H12N2O3 — CID 23149048

IUPACethyl 6-pyridin-3-yloxypyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C13H12N2O3/c1-2-17-13(16)10-5-6-12(15-8-10)18-11-4-3-7-14-9-11/h3-9H,2H2,1H3
InChIKeyCTSVBXCJKBXHEP-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.45
Rot. Bonds4

About ethyl 6-pyridin-3-yloxypyridine-3-carboxylate

ethyl 6-pyridin-3-yloxypyridine-3-carboxylate (PubChem CID 23149048) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 6-pyridin-3-yloxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-pyridin-3-yloxypyridine-3-carboxylate
PubChem CID23149048
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Nameethyl 6-pyridin-3-yloxypyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C13H12N2O3/c1-2-17-13(16)10-5-6-12(15-8-10)18-11-4-3-7-14-9-11/h3-9H,2H2,1H3
InChIKeyCTSVBXCJKBXHEP-UHFFFAOYSA-N
XLogP2.45
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
ethyl 6-methanethioyloxypyridine-3-carboxylate
CID 87198235
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate
CID 31535631

Frequently Asked Questions

What is the IUPAC name of ethyl 6-pyridin-3-yloxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-pyridin-3-yloxypyridine-3-carboxylate (CID 23149048) is ethyl 6-pyridin-3-yloxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-pyridin-3-yloxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-pyridin-3-yloxypyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2cccnc2)nc1.
What is the InChIKey of ethyl 6-pyridin-3-yloxypyridine-3-carboxylate?
The InChIKey is CTSVBXCJKBXHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-17-13(16)10-5-6-12(15-8-10)18-11-4-3-7-14-9-11/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-pyridin-3-yloxypyridine-3-carboxylate?
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-pyridin-3-yloxypyridine-3-carboxylate is sourced from PubChem (CID 23149048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).