ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate

C17H19NO3 — CID 23148939

IUPACethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C17H19NO3/c1-4-20-17(19)14-7-10-16(18-11-14)21-15-8-5-13(6-9-15)12(2)3/h5-12H,4H2,1-3H3
InChIKeyNZBDVTFXFJBRCR-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.17
Rot. Bonds5

About ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate

ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate (PubChem CID 23148939) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
PubChem CID23148939
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C17H19NO3/c1-4-20-17(19)14-7-10-16(18-11-14)21-15-8-5-13(6-9-15)12(2)3/h5-12H,4H2,1-3H3
InChIKeyNZBDVTFXFJBRCR-UHFFFAOYSA-N
XLogP4.17
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
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
6-[4-(1-aminopropyl)phenoxy]pyridine-3-carboxamide
CID 174444828
ethyl 6-(2-amino-3-hydroxyphenoxy)pyridine-3-carboxylate
CID 114764586
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate (CID 23148939) is ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(C(C)C)cc2)nc1.
What is the InChIKey of ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate?
The InChIKey is NZBDVTFXFJBRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-20-17(19)14-7-10-16(18-11-14)21-15-8-5-13(6-9-15)12(2)3/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate?
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 23148939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).