2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid

C15H10N2O4 — CID 114324415

IUPAC2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H10N2O4/c18-13-11-3-1-2-4-12(11)14(19)17(13)8-10-7-9(15(20)21)5-6-16-10/h1-7H,8H2,(H,20,21)
InChIKeyTTYBRQVPGDGEOZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.58
Rot. Bonds3

About 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid

2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 114324415) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
PubChem CID114324415
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C15H10N2O4/c18-13-11-3-1-2-4-12(11)14(19)17(13)8-10-7-9(15(20)21)5-6-16-10/h1-7H,8H2,(H,20,21)
InChIKeyTTYBRQVPGDGEOZ-UHFFFAOYSA-N
XLogP1.58
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.58
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 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid (CID 114324415) is 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is TTYBRQVPGDGEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-11-3-1-2-4-12(11)14(19)17(13)8-10-7-9(15(20)21)5-6-16-10/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid?
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).