5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid

C11H9NO4 — CID 11470032

IUPAC5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid
SMILESCC1(c2cccnc2)OC(C(=O)O)=CC1=O
InChIInChI=1S/C11H9NO4/c1-11(7-3-2-4-12-6-7)9(13)5-8(16-11)10(14)15/h2-6H,1H3,(H,14,15)
InChIKeyUSBLGWSXFJWTQZ-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.86
Rot. Bonds2

About 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid

5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid (PubChem CID 11470032) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid
PubChem CID11470032
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid
SMILESCC1(c2cccnc2)OC(C(=O)O)=CC1=O
InChIInChI=1S/C11H9NO4/c1-11(7-3-2-4-12-6-7)9(13)5-8(16-11)10(14)15/h2-6H,1H3,(H,14,15)
InChIKeyUSBLGWSXFJWTQZ-UHFFFAOYSA-N
XLogP0.86
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one
CID 162672695
2-methyl-2-phenyl-5-[(E)-2-pyridin-3-ylethenyl]furan-3-one
CID 15086700
5-Methyl-4-oxo-5-pyridin-4-ylfuran-2-carboxylic acid
CID 16125022
4-Hydroxy-6-(pyridin-3-yl)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2H-pyran-2-one
CID 54738958
Ethyl 2-hydroxy-2-(pyridin-3-yl)acetate hydrochloride
CID 50988243
Methyl 2-hydroxy-2-(pyridin-3-yl)acetate hydrochloride
CID 50988556
Methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
Sodium 2-hydroxy-2-(pyridin-3-yl)propanoate
CID 165672178
3,6-Dimethyl-5-carbomethoxy-2-(3-pyridyl)pyran
CID 42648587
Dimethyl 2-hydroxy-2-pyridin-3-ylpropanedioate
CID 46217152
2,3-Diethoxy-3-oxo-2-pyridin-3-ylpropanoic acid
CID 53789163
Pyridin-3-ylmethyl 5,5-dimethyl-4-oxofuran-2-carboxylate
CID 53789723

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid (CID 11470032) is 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid is CC1(c2cccnc2)OC(C(=O)O)=CC1=O.
What is the InChIKey of 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid?
The InChIKey is USBLGWSXFJWTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-11(7-3-2-4-12-6-7)9(13)5-8(16-11)10(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid?
5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-5-pyridin-3-ylfuran-2-carboxylic acid is sourced from PubChem (CID 11470032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).