5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid

C12H15NO5 — CID 114201560

IUPAC5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(C2CCCOC2)c(C(=O)O)cc1=O
InChIInChI=1S/C12H15NO5/c1-17-11-6-13(8-3-2-4-18-7-8)9(12(15)16)5-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyJUVRKINBODVOCV-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.91
Rot. Bonds3

About 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid

5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid (PubChem CID 114201560) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid
PubChem CID114201560
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(C2CCCOC2)c(C(=O)O)cc1=O
InChIInChI=1S/C12H15NO5/c1-17-11-6-13(8-3-2-4-18-7-8)9(12(15)16)5-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyJUVRKINBODVOCV-UHFFFAOYSA-N
XLogP0.91
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid (CID 114201560) is 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid is COc1cn(C2CCCOC2)c(C(=O)O)cc1=O.
What is the InChIKey of 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid?
The InChIKey is JUVRKINBODVOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-17-11-6-13(8-3-2-4-18-7-8)9(12(15)16)5-10(11)14/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid?
5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(oxan-3-yl)-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).