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

C13H17NO5 — CID 114201633

IUPAC5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(C2CCOC(C)C2)c(C(=O)O)cc1=O
InChIInChI=1S/C13H17NO5/c1-8-5-9(3-4-19-8)14-7-12(18-2)11(15)6-10(14)13(16)17/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeyXUQNSYUAOBKUKJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.30
Rot. Bonds3

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

5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid (PubChem CID 114201633) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid
PubChem CID114201633
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(C2CCOC(C)C2)c(C(=O)O)cc1=O
InChIInChI=1S/C13H17NO5/c1-8-5-9(3-4-19-8)14-7-12(18-2)11(15)6-10(14)13(16)17/h6-9H,3-5H2,1-2H3,(H,16,17)
InChIKeyXUQNSYUAOBKUKJ-UHFFFAOYSA-N
XLogP1.30
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid (CID 114201633) is 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid is COc1cn(C2CCOC(C)C2)c(C(=O)O)cc1=O.
What is the InChIKey of 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid?
The InChIKey is XUQNSYUAOBKUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-5-9(3-4-19-8)14-7-12(18-2)11(15)6-10(14)13(16)17/h6-9H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid?
5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methyloxan-4-yl)-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).