4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione

C14H10ClN3O2 — CID 118197472

IUPAC4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione
SMILESCc1ncccc1N1C(=O)c2c(N)ccc(Cl)c2C1=O
InChIInChI=1S/C14H10ClN3O2/c1-7-10(3-2-6-17-7)18-13(19)11-8(15)4-5-9(16)12(11)14(18)20/h2-6H,16H2,1H3
InChIKeyKGGLYRCNHMKPNG-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.43
Rot. Bonds1

About 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione

4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione (PubChem CID 118197472) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione
PubChem CID118197472
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione
SMILESCc1ncccc1N1C(=O)c2c(N)ccc(Cl)c2C1=O
InChIInChI=1S/C14H10ClN3O2/c1-7-10(3-2-6-17-7)18-13(19)11-8(15)4-5-9(16)12(11)14(18)20/h2-6H,16H2,1H3
InChIKeyKGGLYRCNHMKPNG-UHFFFAOYSA-N
XLogP2.43
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione (CID 118197472) is 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione is Cc1ncccc1N1C(=O)c2c(N)ccc(Cl)c2C1=O.
What is the InChIKey of 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione?
The InChIKey is KGGLYRCNHMKPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-7-10(3-2-6-17-7)18-13(19)11-8(15)4-5-9(16)12(11)14(18)20/h2-6H,16H2,1H3.
What are the key properties of 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione?
4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione has a molecular weight of 287.71 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-2-(2-methyl-3-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 118197472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).