methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate

C14H15NO4 — CID 117241131

IUPACmethyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate
SMILESCOC(=O)C(COc1cccnc1)c1ccc(C)o1
InChIInChI=1S/C14H15NO4/c1-10-5-6-13(19-10)12(14(16)17-2)9-18-11-4-3-7-15-8-11/h3-8,12H,9H2,1-2H3
InChIKeyORLUMTCOVRKURO-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.32
Rot. Bonds5

About methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate

methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate (PubChem CID 117241131) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate.

Molecular Properties

Compound Namemethyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate
PubChem CID117241131
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate
SMILESCOC(=O)C(COc1cccnc1)c1ccc(C)o1
InChIInChI=1S/C14H15NO4/c1-10-5-6-13(19-10)12(14(16)17-2)9-18-11-4-3-7-15-8-11/h3-8,12H,9H2,1-2H3
InChIKeyORLUMTCOVRKURO-UHFFFAOYSA-N
XLogP2.32
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
CID 117240986
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
CID 117241320
methyl 2-(5-methylfuran-2-yl)-3-methylsulfanylpropanoate
CID 117241145
3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid
CID 117241110
methyl 3-phenoxy-2-pyridin-4-ylpropanoate
CID 117246578
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
1-pyridin-3-yloxypentan-2-amine
CID 117241763
1,3-diaminourea;3-methoxypyridine
CID 175323453
1-(5-chlorofuran-2-yl)-2-pyridin-3-yloxyethanol
CID 117240237
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate?
The IUPAC name of methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate (CID 117241131) is methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate.
What is the SMILES notation for methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate?
The canonical SMILES for methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate is COC(=O)C(COc1cccnc1)c1ccc(C)o1.
What is the InChIKey of methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate?
The InChIKey is ORLUMTCOVRKURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-10-5-6-13(19-10)12(14(16)17-2)9-18-11-4-3-7-15-8-11/h3-8,12H,9H2,1-2H3.
What are the key properties of methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate?
methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate has a molecular weight of 261.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate is sourced from PubChem (CID 117241131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).