ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate

C15H17NO3 — CID 134976381

IUPACethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)oc1-c1cccnc1
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)12-8-13(10(2)3)19-14(12)11-6-5-7-16-9-11/h5-10H,4H2,1-3H3
InChIKeyWPLAABVHYJKDTC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.64
Rot. Bonds4

About ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate

ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate (PubChem CID 134976381) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
PubChem CID134976381
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)C)oc1-c1cccnc1
InChIInChI=1S/C15H17NO3/c1-4-18-15(17)12-8-13(10(2)3)19-14(12)11-6-5-7-16-9-11/h5-10H,4H2,1-3H3
InChIKeyWPLAABVHYJKDTC-UHFFFAOYSA-N
XLogP3.64
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929
ethyl 3-propan-2-ylpyridine-4-carboxylate
CID 131699762
ethyl 3-fluoro-5-pyridin-3-ylbenzoate
CID 46317693
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
ethyl 2-pyridin-2-yl-5-pyridin-3-yl-1,3-oxazole-4-carboxylate
CID 102412779
ethyl 3-pyridin-3-yl-5-(trifluoromethyl)benzoate
CID 46317775

Frequently Asked Questions

What is the IUPAC name of ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate?
The IUPAC name of ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate (CID 134976381) is ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate?
The canonical SMILES for ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate is CCOC(=O)c1cc(C(C)C)oc1-c1cccnc1.
What is the InChIKey of ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate?
The InChIKey is WPLAABVHYJKDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-18-15(17)12-8-13(10(2)3)19-14(12)11-6-5-7-16-9-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate?
ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate is sourced from PubChem (CID 134976381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).