6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C11H9NO4 — CID 62631831

IUPAC6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1-c1ccco1
InChIInChI=1S/C11H9NO4/c1-6-5-7(11(14)15)10(13)12-9(6)8-3-2-4-16-8/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyCOYSDYUXKPOEFW-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.64
Rot. Bonds2

About 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 62631831) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID62631831
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1-c1ccco1
InChIInChI=1S/C11H9NO4/c1-6-5-7(11(14)15)10(13)12-9(6)8-3-2-4-16-8/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyCOYSDYUXKPOEFW-UHFFFAOYSA-N
XLogP1.64
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 62631831) is 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(=O)[nH]c1-c1ccco1.
What is the InChIKey of 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is COYSDYUXKPOEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-6-5-7(11(14)15)10(13)12-9(6)8-3-2-4-16-8/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 62631831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).