2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid

C14H7ClN2O4 — CID 1230931

IUPAC2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O
InChIInChI=1S/C14H7ClN2O4/c15-8-2-4-11(16-6-8)17-12(18)9-3-1-7(14(20)21)5-10(9)13(17)19/h1-6H,(H,20,21)
InChIKeyOPRMPNAELVZZKQ-UHFFFAOYSA-N
MW302.67 g/mol
LogP2.23
Rot. Bonds2

About 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 1230931) has the molecular formula C14H7ClN2O4 and a molecular weight of 302.67 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID1230931
Molecular FormulaC14H7ClN2O4
Molecular Weight302.67 g/mol
Exact Mass302.01
IUPAC Name2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O
InChIInChI=1S/C14H7ClN2O4/c15-8-2-4-11(16-6-8)17-12(18)9-3-1-7(14(20)21)5-10(9)13(17)19/h1-6H,(H,20,21)
InChIKeyOPRMPNAELVZZKQ-UHFFFAOYSA-N
XLogP2.23
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.67
LogP ≤ 52.23
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-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid (CID 1230931) is 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is OPRMPNAELVZZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2O4/c15-8-2-4-11(16-6-8)17-12(18)9-3-1-7(14(20)21)5-10(9)13(17)19/h1-6H,(H,20,21).
What are the key properties of 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 302.67 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 1230931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).