5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid

C13H14N2O4 — CID 81098919

IUPAC5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CC(=O)N(Cc2ccc(C(=O)O)nc2)C(=O)C1
InChIInChI=1S/C13H14N2O4/c1-8-4-11(16)15(12(17)5-8)7-9-2-3-10(13(18)19)14-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,18,19)
InChIKeyKFDZTJASROEUNC-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.06
Rot. Bonds3

About 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid

5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 81098919) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID81098919
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CC(=O)N(Cc2ccc(C(=O)O)nc2)C(=O)C1
InChIInChI=1S/C13H14N2O4/c1-8-4-11(16)15(12(17)5-8)7-9-2-3-10(13(18)19)14-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,18,19)
InChIKeyKFDZTJASROEUNC-UHFFFAOYSA-N
XLogP1.06
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 81098919) is 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid is CC1CC(=O)N(Cc2ccc(C(=O)O)nc2)C(=O)C1.
What is the InChIKey of 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is KFDZTJASROEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-4-11(16)15(12(17)5-8)7-9-2-3-10(13(18)19)14-6-9/h2-3,6,8H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81098919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).