methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate

C12H11NO4 — CID 125457554

IUPACmethyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1ccc(-c2ccco2)cc1=O
InChIInChI=1S/C12H11NO4/c1-16-12(15)8-13-5-4-9(7-11(13)14)10-3-2-6-17-10/h2-7H,8H2,1H3
InChIKeyOZVSNYCHHLNSQX-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate

methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate (PubChem CID 125457554) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate
PubChem CID125457554
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1ccc(-c2ccco2)cc1=O
InChIInChI=1S/C12H11NO4/c1-16-12(15)8-13-5-4-9(7-11(13)14)10-3-2-6-17-10/h2-7H,8H2,1H3
InChIKeyOZVSNYCHHLNSQX-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate (CID 125457554) is methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate is COC(=O)Cn1ccc(-c2ccco2)cc1=O.
What is the InChIKey of methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate?
The InChIKey is OZVSNYCHHLNSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-12(15)8-13-5-4-9(7-11(13)14)10-3-2-6-17-10/h2-7H,8H2,1H3.
What are the key properties of methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate?
methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate has a molecular weight of 233.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 125457554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).