5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid

C11H15NO4 — CID 67963664

IUPAC5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid
SMILESCCCCOc1cn(C)c(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO4/c1-3-4-5-16-10-7-12(2)8(11(14)15)6-9(10)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyQKURUVVLUPCDPW-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.26
Rot. Bonds5

About 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid

5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid (PubChem CID 67963664) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid
PubChem CID67963664
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid
SMILESCCCCOc1cn(C)c(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO4/c1-3-4-5-16-10-7-12(2)8(11(14)15)6-9(10)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyQKURUVVLUPCDPW-UHFFFAOYSA-N
XLogP1.26
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-1-methyl-4-oxopyridine-6-carboxylic acid
CID 194334
4-Hydroxy-5-methoxy-2-pyridinecarboxylic acid
CID 11958938
2-(Hydroxymethyl)-5-methoxy-1-methylpyridin-4(1H)-one
CID 12468239
5-Butoxy-1-methyl-2-(2,2,2-trifluoro-1,1-dihydroxyethyl)pyridin-4-one
CID 70935191
5-Methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 40572869
2-(5-Methoxy-2-methyl-4-oxo-1,4-dihydropyridin-1-YL)acetic acid
CID 86058350
5-Methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid
CID 114201555
5-Methoxy-4-oxo-1-(4,4,4-trifluorobutan-2-yl)pyridine-2-carboxylic acid
CID 114201647
2-(3-Butoxy-4-oxo-1-pyridinyl)acetic acid
CID 21320058
(3-methoxy-2-methyl-4-oxopyridin-1(4H)-yl)acetic acid
CID 22766109
3-butoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 67471512
1,5-Dibutoxy-4-oxopyridine-2-carboxylic acid
CID 67963601

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid (CID 67963664) is 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid is CCCCOc1cn(C)c(C(=O)O)cc1=O.
What is the InChIKey of 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid?
The InChIKey is QKURUVVLUPCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-4-5-16-10-7-12(2)8(11(14)15)6-9(10)13/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid?
5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1-methyl-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 67963664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).