1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid

C10H13NO4 — CID 82901963

IUPAC1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid
SMILESCOCCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C10H13NO4/c1-15-6-2-4-11-5-3-8(10(13)14)7-9(11)12/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyOTSKMGBMEVSQHR-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.58
Rot. Bonds5

About 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid

1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 82901963) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid
PubChem CID82901963
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid
SMILESCOCCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C10H13NO4/c1-15-6-2-4-11-5-3-8(10(13)14)7-9(11)12/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKeyOTSKMGBMEVSQHR-UHFFFAOYSA-N
XLogP0.58
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid (CID 82901963) is 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid is COCCCn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is OTSKMGBMEVSQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-6-2-4-11-5-3-8(10(13)14)7-9(11)12/h3,5,7H,2,4,6H2,1H3,(H,13,14).
What are the key properties of 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid?
1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82901963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).