ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate

C19H23NO3 — CID 130434959

IUPACethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(C(C)(C)CC)cc2)nc1
InChIInChI=1S/C19H23NO3/c1-5-19(3,4)15-8-10-16(11-9-15)23-17-12-7-14(13-20-17)18(21)22-6-2/h7-13H,5-6H2,1-4H3
InChIKeyMHWUVKFCAYFRAL-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.74
Rot. Bonds6

About ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate

ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate (PubChem CID 130434959) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
PubChem CID130434959
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Oc2ccc(C(C)(C)CC)cc2)nc1
InChIInChI=1S/C19H23NO3/c1-5-19(3,4)15-8-10-16(11-9-15)23-17-12-7-14(13-20-17)18(21)22-6-2/h7-13H,5-6H2,1-4H3
InChIKeyMHWUVKFCAYFRAL-UHFFFAOYSA-N
XLogP4.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one
CID 147995396
ethyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 161046198
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
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
2-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]ethanamine
CID 80626968
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate (CID 130434959) is ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate is CCOC(=O)c1ccc(Oc2ccc(C(C)(C)CC)cc2)nc1.
What is the InChIKey of ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate?
The InChIKey is MHWUVKFCAYFRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-19(3,4)15-8-10-16(11-9-15)23-17-12-7-14(13-20-17)18(21)22-6-2/h7-13H,5-6H2,1-4H3.
What are the key properties of ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate?
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 130434959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).